7-amino-2-[4-[carbamoyl(pyridin-3-ylmethyl)amino]phenyl]-8-ethyl-N-methyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

C24H24N8O3 — CID 67437692

IUPAC7-amino-2-[4-[carbamoyl(pyridin-3-ylmethyl)amino]phenyl]-8-ethyl-N-methyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCn1c(N)c(C(=O)NC)c(=O)c2cnc(-c3ccc(N(Cc4cccnc4)C(N)=O)cc3)nc21
InChIInChI=1S/C24H24N8O3/c1-3-31-20(25)18(23(34)27-2)19(33)17-12-29-21(30-22(17)31)15-6-8-16(9-7-15)32(24(26)35)13-14-5-4-10-28-11-14/h4-12H,3,13,25H2,1-2H3,(H2,26,35)(H,27,34)
InChIKeyJDYQWQQGOAZSQF-UHFFFAOYSA-N
MW472.51 g/mol
LogP1.90
Rot. Bonds6

About 7-amino-2-[4-[carbamoyl(pyridin-3-ylmethyl)amino]phenyl]-8-ethyl-N-methyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

7-amino-2-[4-[carbamoyl(pyridin-3-ylmethyl)amino]phenyl]-8-ethyl-N-methyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 67437692) has the molecular formula C24H24N8O3 and a molecular weight of 472.51 g/mol. Its IUPAC name is 7-amino-2-[4-[carbamoyl(pyridin-3-ylmethyl)amino]phenyl]-8-ethyl-N-methyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-amino-2-[4-[carbamoyl(pyridin-3-ylmethyl)amino]phenyl]-8-ethyl-N-methyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID67437692
Molecular FormulaC24H24N8O3
Molecular Weight472.51 g/mol
Exact Mass472.20
IUPAC Name7-amino-2-[4-[carbamoyl(pyridin-3-ylmethyl)amino]phenyl]-8-ethyl-N-methyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCn1c(N)c(C(=O)NC)c(=O)c2cnc(-c3ccc(N(Cc4cccnc4)C(N)=O)cc3)nc21
InChIInChI=1S/C24H24N8O3/c1-3-31-20(25)18(23(34)27-2)19(33)17-12-29-21(30-22(17)31)15-6-8-16(9-7-15)32(24(26)35)13-14-5-4-10-28-11-14/h4-12H,3,13,25H2,1-2H3,(H2,26,35)(H,27,34)
InChIKeyJDYQWQQGOAZSQF-UHFFFAOYSA-N
XLogP1.90
TPSA162.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-amino-2-[4-[carbamoyl(pyridin-3-ylmethyl)amino]phenyl]-8-ethyl-N-methyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

7-(4-chlorophenyl)-1-ethyl-3-(pyridin-3-ylmethyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CID 53011130
2-amino-N-methyl-7-[4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 67079775
2-amino-N-methyl-4-oxo-7-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-naphthyridine-3-carboxamide
CID 67079913
1-methyl-7-(4-methylphenyl)-3-(pyridin-3-ylmethyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CID 53011136
7-amino-2-[benzyl(morpholin-4-yl)amino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 123984027
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360399
2-[1-methyl-7-(4-methylphenyl)-2,4-dioxopyrimido[4,5-d]pyrimidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 53116305
3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 39368333
N-ethyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 53474011
ethyl 8-ethyl-5-oxo-2-pyridin-3-ylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 12847896
N-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110360592
2-amino-1-ethyl-7-[5-[2-[[(2R)-1-(2-fluoroethyl)pyrrolidin-2-yl]methylamino]-2-oxoethyl]-2-pyridinyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 44611329

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-[4-[carbamoyl(pyridin-3-ylmethyl)amino]phenyl]-8-ethyl-N-methyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-amino-2-[4-[carbamoyl(pyridin-3-ylmethyl)amino]phenyl]-8-ethyl-N-methyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 67437692) is 7-amino-2-[4-[carbamoyl(pyridin-3-ylmethyl)amino]phenyl]-8-ethyl-N-methyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-amino-2-[4-[carbamoyl(pyridin-3-ylmethyl)amino]phenyl]-8-ethyl-N-methyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-amino-2-[4-[carbamoyl(pyridin-3-ylmethyl)amino]phenyl]-8-ethyl-N-methyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is CCn1c(N)c(C(=O)NC)c(=O)c2cnc(-c3ccc(N(Cc4cccnc4)C(N)=O)cc3)nc21.
What is the InChIKey of 7-amino-2-[4-[carbamoyl(pyridin-3-ylmethyl)amino]phenyl]-8-ethyl-N-methyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JDYQWQQGOAZSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O3/c1-3-31-20(25)18(23(34)27-2)19(33)17-12-29-21(30-22(17)31)15-6-8-16(9-7-15)32(24(26)35)13-14-5-4-10-28-11-14/h4-12H,3,13,25H2,1-2H3,(H2,26,35)(H,27,34).
What are the key properties of 7-amino-2-[4-[carbamoyl(pyridin-3-ylmethyl)amino]phenyl]-8-ethyl-N-methyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
7-amino-2-[4-[carbamoyl(pyridin-3-ylmethyl)amino]phenyl]-8-ethyl-N-methyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-[4-[carbamoyl(pyridin-3-ylmethyl)amino]phenyl]-8-ethyl-N-methyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 67437692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).