N-(1-aminoethylidene)-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide

C23H31N5O2 — CID 118264143

IUPACN-(1-aminoethylidene)-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide
SMILESC/C(N)=N\C(=O)c1cc2cc(C)ccc2nc1N1CCC(N[C@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C23H31N5O2/c1-14-6-7-19-16(12-14)13-18(23(30)25-15(2)24)22(27-19)28-10-8-17(9-11-28)26-20-4-3-5-21(20)29/h6-7,12-13,17,20-21,26,29H,3-5,8-11H2,1-2H3,(H2,24,25,30)/t20-,21-/m0/s1
InChIKeyUGDLOFPNFLQQML-SFTDATJTSA-N
MW409.53 g/mol
LogP2.53
Rot. Bonds4

About N-(1-aminoethylidene)-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide

N-(1-aminoethylidene)-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide (PubChem CID 118264143) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-(1-aminoethylidene)-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide
PubChem CID118264143
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC NameN-(1-aminoethylidene)-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide
SMILESC/C(N)=N\C(=O)c1cc2cc(C)ccc2nc1N1CCC(N[C@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C23H31N5O2/c1-14-6-7-19-16(12-14)13-18(23(30)25-15(2)24)22(27-19)28-10-8-17(9-11-28)26-20-4-3-5-21(20)29/h6-7,12-13,17,20-21,26,29H,3-5,8-11H2,1-2H3,(H2,24,25,30)/t20-,21-/m0/s1
InChIKeyUGDLOFPNFLQQML-SFTDATJTSA-N
XLogP2.53
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[amino-[2-[4-(cyclopentylamino)piperidin-1-yl]-6-methylquinolin-3-yl]methylidene]acetamide
CID 118263989
N-(1-aminoethylidene)-2-[4-(oxolan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide
CID 139324686
trans-(1S,2S)-2-[[1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-yl]amino]cyclohexan-1-ol
CID 118264091
1-[2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinolin-3-yl]ethanone
CID 118264059
N-(1-aminoethylidene)-2-[4-(cyclohexylamino)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 144575615
6-methyl-2-[4-[(4-methyloxan-4-yl)amino]piperidin-1-yl]quinoline-3-carboxamide
CID 144575495
2-[(3R,4S)-4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]-N-(cyclopropanecarboximidoyl)-6-methylquinoline-3-carboxamide
CID 163668702
azane;2-[4-(cyclohexylmethylamino)piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethene;molecular hydrogen
CID 144575824
N-(1-aminoethyl)-6-methyl-2-[4-(oxolan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide
CID 123963874
2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide
CID 140681712
3-O-ethyl 5-O-methyl 2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylpyridine-3,5-dicarboxylate
CID 2796048
2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N,N,6-trimethylquinoline-3-carboxamide
CID 118263848

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethylidene)-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide?
The IUPAC name of N-(1-aminoethylidene)-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide (CID 118264143) is N-(1-aminoethylidene)-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide.
What is the SMILES notation for N-(1-aminoethylidene)-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide?
The canonical SMILES for N-(1-aminoethylidene)-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide is C/C(N)=N\C(=O)c1cc2cc(C)ccc2nc1N1CCC(N[C@H]2CCC[C@@H]2O)CC1.
What is the InChIKey of N-(1-aminoethylidene)-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide?
The InChIKey is UGDLOFPNFLQQML-SFTDATJTSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-14-6-7-19-16(12-14)13-18(23(30)25-15(2)24)22(27-19)28-10-8-17(9-11-28)26-20-4-3-5-21(20)29/h6-7,12-13,17,20-21,26,29H,3-5,8-11H2,1-2H3,(H2,24,25,30)/t20-,21-/m0/s1.
What are the key properties of N-(1-aminoethylidene)-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide?
N-(1-aminoethylidene)-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide is sourced from PubChem (CID 118264143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).