7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide

C14H15N5O — CID 173153410

IUPAC7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESNC(=O)c1ncc2c(n1)CN(Cc1ccncc1)CC2
InChIInChI=1S/C14H15N5O/c15-13(20)14-17-7-11-3-6-19(9-12(11)18-14)8-10-1-4-16-5-2-10/h1-2,4-5,7H,3,6,8-9H2,(H2,15,20)
InChIKeyMUIVBAUYBOBVPS-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.53
Rot. Bonds3

About 7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide

7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (PubChem CID 173153410) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
PubChem CID173153410
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESNC(=O)c1ncc2c(n1)CN(Cc1ccncc1)CC2
InChIInChI=1S/C14H15N5O/c15-13(20)14-17-7-11-3-6-19(9-12(11)18-14)8-10-1-4-16-5-2-10/h1-2,4-5,7H,3,6,8-9H2,(H2,15,20)
InChIKeyMUIVBAUYBOBVPS-UHFFFAOYSA-N
XLogP0.53
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Methylpiperazin-1-yl)-6-pyridin-4-ylpyrimidin-2-amine
CID 25129881
4-(4-Methylpiperazin-1-yl)-6-pyridin-3-ylpyrimidin-2-amine
CID 25131555
N-quinolin-8-ylpyrimidine-2-carboxamide
CID 124087797
(3R)-1,3-dimethyl-4-propan-2-yl-6-[(4-pyridin-4-ylpyrimidin-2-yl)amino]-3H-quinoxalin-2-one
CID 162649888
US20230399327, Example 79
CID 167049822
4-(4-Methylpiperazin-1-yl)-6-(pyridin-4-yl)-1,3,5-triazin-2-amine (15)
CID 121238071
N-(4-(trifluoromethyl)phenyl)-5-(3-(trifluoromethyl)pyridin-2-yl)pyrimidine-2-carboxamide
CID 44416398
N''-cyano-N-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)propyl)isonicotinamidine
CID 46889214
3-Benzyl-9-(pyrimidine-2-carbonyl)-3,9-diazaspiro[5.5]undecane
CID 52945255
3-methyl-1-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
CID 71450486
N-tert-butyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 71457642
2-(dimethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 71457644

Frequently Asked Questions

What is the IUPAC name of 7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (CID 173153410) is 7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is NC(=O)c1ncc2c(n1)CN(Cc1ccncc1)CC2.
What is the InChIKey of 7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The InChIKey is MUIVBAUYBOBVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c15-13(20)14-17-7-11-3-6-19(9-12(11)18-14)8-10-1-4-16-5-2-10/h1-2,4-5,7H,3,6,8-9H2,(H2,15,20).
What are the key properties of 7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 173153410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).