N-[5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-yl]-6-[3-(methylamino)but-3-enyl]-7-methylidene-8-propan-2-yl-1,8-naphthyridin-3-amine

C28H38ClN7 — CID 176935786

IUPACN-[5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-yl]-6-[3-(methylamino)but-3-enyl]-7-methylidene-8-propan-2-yl-1,8-naphthyridin-3-amine
SMILESC=C(CCC1=Cc2cc(Nc3nc(N4CCC(C)C(C)C4)ncc3Cl)cnc2N(C(C)C)C1=C)NC
InChIInChI=1S/C28H38ClN7/c1-17(2)36-21(6)22(9-8-20(5)30-7)12-23-13-24(14-31-27(23)36)33-26-25(29)15-32-28(34-26)35-11-10-18(3)19(4)16-35/h12-15,17-19,30H,5-6,8-11,16H2,1-4,7H3,(H,32,33,34)
InChIKeyAJZACNJZYLAYCV-UHFFFAOYSA-N
MW508.11 g/mol
LogP6.39
Rot. Bonds8

About N-[5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-yl]-6-[3-(methylamino)but-3-enyl]-7-methylidene-8-propan-2-yl-1,8-naphthyridin-3-amine

N-[5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-yl]-6-[3-(methylamino)but-3-enyl]-7-methylidene-8-propan-2-yl-1,8-naphthyridin-3-amine (PubChem CID 176935786) has the molecular formula C28H38ClN7 and a molecular weight of 508.11 g/mol. Its IUPAC name is N-[5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-yl]-6-[3-(methylamino)but-3-enyl]-7-methylidene-8-propan-2-yl-1,8-naphthyridin-3-amine.

Molecular Properties

Compound NameN-[5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-yl]-6-[3-(methylamino)but-3-enyl]-7-methylidene-8-propan-2-yl-1,8-naphthyridin-3-amine
PubChem CID176935786
Molecular FormulaC28H38ClN7
Molecular Weight508.11 g/mol
Exact Mass507.29
IUPAC NameN-[5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-yl]-6-[3-(methylamino)but-3-enyl]-7-methylidene-8-propan-2-yl-1,8-naphthyridin-3-amine
SMILESC=C(CCC1=Cc2cc(Nc3nc(N4CCC(C)C(C)C4)ncc3Cl)cnc2N(C(C)C)C1=C)NC
InChIInChI=1S/C28H38ClN7/c1-17(2)36-21(6)22(9-8-20(5)30-7)12-23-13-24(14-31-27(23)36)33-26-25(29)15-32-28(34-26)35-11-10-18(3)19(4)16-35/h12-15,17-19,30H,5-6,8-11,16H2,1-4,7H3,(H,32,33,34)
InChIKeyAJZACNJZYLAYCV-UHFFFAOYSA-N
XLogP6.39
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.11
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-yl]-6-[3-(methylamino)but-3-enyl]-7-methylidene-8-propan-2-yl-1,8-naphthyridin-3-amine with MolForge

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Related Compounds

N-[5-chloro-2-[4-[[4-[3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazol-6-yl]-2,2-dimethylpiperazin-1-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]-6-[3-(methylamino)but-3-enyl]-7-methylidene-8-propan-2-yl-1,8-naphthyridin-3-amine
CID 176935798
N-[5-chloro-2-[3-[2-[4-[3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazol-7-yl]piperazin-1-yl]ethyl]pyrrolidin-1-yl]pyrimidin-4-yl]-8-methyl-6-[3-(methylamino)but-3-enyl]-7-methylidene-1,8-naphthyridin-3-amine
CID 176935817
N-[5-chloro-2-[4-[[1-[3-[2-(ethenylamino)hex-1-en-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]methyl]piperazin-1-yl]pyrimidin-4-yl]-3-[3-(methylamino)but-3-enyl]-2-methylidene-1-propan-2-ylquinolin-6-amine
CID 174290786
N-[5-chloro-2-[4-[[1-[3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]methyl]piperazin-1-yl]pyrimidin-4-yl]-3-[3-(methylamino)but-3-enyl]-2-methylidene-1-propan-2-ylquinolin-6-amine
CID 174290775
6-but-3-enyl-N-[5-chloro-2-[4-[[4-[3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazol-7-yl]piperazin-1-yl]methyl]-3-fluoropiperidin-1-yl]pyrimidin-4-yl]-7-methylidene-8-propan-2-yl-1,8-naphthyridin-3-amine
CID 170629118
5-chloro-2-N-(cyclohexylmethyl)-4-N-[1-methyl-3-[3-(methylamino)but-3-enyl]-2-methylidenequinolin-6-yl]pyrimidine-2,4-diamine
CID 174290761
N-[5-chloro-2-[3-[2-[3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazol-7-yl]ethyl]piperidin-1-yl]pyrimidin-4-yl]-1-methyl-3-[3-(methylamino)but-3-enyl]-2-methylidenequinolin-6-amine
CID 174291309
5-[[5-chloro-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-yl-3H-indol-2-one
CID 176947833
3-but-3-enyl-N-[5-chloro-2-[4-[1-[4-(1-methyl-3-pentan-2-ylindazol-7-yl)piperazin-1-yl]ethenyl]piperidin-1-yl]pyrimidin-4-yl]-1-methyl-2-methylidenequinolin-6-amine
CID 174291651
(3R,4S)-1-[5-chloro-4-(4-fluoroanilino)pyrimidin-2-yl]pyrrolidine-3,4-diol
CID 136585167
1-[5-chloro-4-[[3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1-propan-2-ylquinolin-6-yl]amino]pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 135137768
1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114684020

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-yl]-6-[3-(methylamino)but-3-enyl]-7-methylidene-8-propan-2-yl-1,8-naphthyridin-3-amine?
The IUPAC name of N-[5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-yl]-6-[3-(methylamino)but-3-enyl]-7-methylidene-8-propan-2-yl-1,8-naphthyridin-3-amine (CID 176935786) is N-[5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-yl]-6-[3-(methylamino)but-3-enyl]-7-methylidene-8-propan-2-yl-1,8-naphthyridin-3-amine.
What is the SMILES notation for N-[5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-yl]-6-[3-(methylamino)but-3-enyl]-7-methylidene-8-propan-2-yl-1,8-naphthyridin-3-amine?
The canonical SMILES for N-[5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-yl]-6-[3-(methylamino)but-3-enyl]-7-methylidene-8-propan-2-yl-1,8-naphthyridin-3-amine is C=C(CCC1=Cc2cc(Nc3nc(N4CCC(C)C(C)C4)ncc3Cl)cnc2N(C(C)C)C1=C)NC.
What is the InChIKey of N-[5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-yl]-6-[3-(methylamino)but-3-enyl]-7-methylidene-8-propan-2-yl-1,8-naphthyridin-3-amine?
The InChIKey is AJZACNJZYLAYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38ClN7/c1-17(2)36-21(6)22(9-8-20(5)30-7)12-23-13-24(14-31-27(23)36)33-26-25(29)15-32-28(34-26)35-11-10-18(3)19(4)16-35/h12-15,17-19,30H,5-6,8-11,16H2,1-4,7H3,(H,32,33,34).
What are the key properties of N-[5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-yl]-6-[3-(methylamino)but-3-enyl]-7-methylidene-8-propan-2-yl-1,8-naphthyridin-3-amine?
N-[5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-yl]-6-[3-(methylamino)but-3-enyl]-7-methylidene-8-propan-2-yl-1,8-naphthyridin-3-amine has a molecular weight of 508.11 g/mol, XLogP of 6.39, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-yl]-6-[3-(methylamino)but-3-enyl]-7-methylidene-8-propan-2-yl-1,8-naphthyridin-3-amine is sourced from PubChem (CID 176935786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).