N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide

C23H27N5O3 — CID 53168180

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(N3CCCC3)c3c(C)cc(C)nc3n2)cc1OC
InChIInChI=1S/C23H27N5O3/c1-14-11-15(2)25-20-19(14)22(28-9-5-6-10-28)27-21(26-20)23(29)24-13-16-7-8-17(30-3)18(12-16)31-4/h7-8,11-12H,5-6,9-10,13H2,1-4H3,(H,24,29)
InChIKeyHYCWYBZWWNDRKK-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.19
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide (PubChem CID 53168180) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
PubChem CID53168180
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(N3CCCC3)c3c(C)cc(C)nc3n2)cc1OC
InChIInChI=1S/C23H27N5O3/c1-14-11-15(2)25-20-19(14)22(28-9-5-6-10-28)27-21(26-20)23(29)24-13-16-7-8-17(30-3)18(12-16)31-4/h7-8,11-12H,5-6,9-10,13H2,1-4H3,(H,24,29)
InChIKeyHYCWYBZWWNDRKK-UHFFFAOYSA-N
XLogP3.19
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide with MolForge

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Related Compounds

N-(4-methoxy-2-methylphenyl)-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168185
5,7-dimethyl-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168200
5,7-dimethyl-N-(3-morpholin-4-ylpropyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168197
N-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111768
6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109123466
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 72713211
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
CID 72713881
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326312
N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
N-[(3,4-dimethoxyphenyl)methyl]-4-[(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)methyl]benzamide
CID 20948472
1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 51124631
4-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 112922785

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide (CID 53168180) is N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide is COc1ccc(CNC(=O)c2nc(N3CCCC3)c3c(C)cc(C)nc3n2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is HYCWYBZWWNDRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-14-11-15(2)25-20-19(14)22(28-9-5-6-10-28)27-21(26-20)23(29)24-13-16-7-8-17(30-3)18(12-16)31-4/h7-8,11-12H,5-6,9-10,13H2,1-4H3,(H,24,29).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 53168180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).