N-(cyclopropylmethyl)-2-methoxy-5-[3-methyl-4-oxo-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-7-yl]benzamide

C26H26N6O3 — CID 58093010

IUPACN-(cyclopropylmethyl)-2-methoxy-5-[3-methyl-4-oxo-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-7-yl]benzamide
SMILESCOc1ccc(-c2cc3ncn(C)c(=O)c3c(NCc3ccncc3)n2)cc1C(=O)NCC1CC1
InChIInChI=1S/C26H26N6O3/c1-32-15-30-21-12-20(31-24(23(21)26(32)34)28-13-17-7-9-27-10-8-17)18-5-6-22(35-2)19(11-18)25(33)29-14-16-3-4-16/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,28,31)(H,29,33)
InChIKeyKDGPMVMAYFPHIY-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.15
Rot. Bonds8

About N-(cyclopropylmethyl)-2-methoxy-5-[3-methyl-4-oxo-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-7-yl]benzamide

N-(cyclopropylmethyl)-2-methoxy-5-[3-methyl-4-oxo-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-7-yl]benzamide (PubChem CID 58093010) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methoxy-5-[3-methyl-4-oxo-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-7-yl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-methoxy-5-[3-methyl-4-oxo-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-7-yl]benzamide
PubChem CID58093010
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC NameN-(cyclopropylmethyl)-2-methoxy-5-[3-methyl-4-oxo-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-7-yl]benzamide
SMILESCOc1ccc(-c2cc3ncn(C)c(=O)c3c(NCc3ccncc3)n2)cc1C(=O)NCC1CC1
InChIInChI=1S/C26H26N6O3/c1-32-15-30-21-12-20(31-24(23(21)26(32)34)28-13-17-7-9-27-10-8-17)18-5-6-22(35-2)19(11-18)25(33)29-14-16-3-4-16/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,28,31)(H,29,33)
InChIKeyKDGPMVMAYFPHIY-UHFFFAOYSA-N
XLogP3.15
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

7-(3-chloro-4-methoxyphenyl)-3-methyl-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one
CID 58092902
7-(3,4-dimethoxyphenyl)-3-methyl-5-[(2-oxopyrrolidin-3-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one
CID 58093129
3-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propanamide;3-methyl-5-(pyridin-4-ylmethylamino)-7-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 66889182
7-(3,4-dimethoxyphenyl)-3-methyl-5-[(5-methylfuran-2-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one
CID 58092941
5-(cyclopropylmethylamino)-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 58093049
5-[[(2S)-2-aminopropyl]amino]-7-(3,4-dimethoxyphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 58092930
7-(3,4-dimethoxyphenyl)-3-methyl-5-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]pyrido[4,3-d]pyrimidin-4-one
CID 58093197
7-(3,4-dimethoxyphenyl)-5-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 58093032
7-(3,4-dimethoxyphenyl)-3-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
CID 66891408
5-(cyclopropylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66959740
7-(4-methoxy-3-methylsulfonylphenyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 50923838
2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide
CID 110410764

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methoxy-5-[3-methyl-4-oxo-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-7-yl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-2-methoxy-5-[3-methyl-4-oxo-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-7-yl]benzamide (CID 58093010) is N-(cyclopropylmethyl)-2-methoxy-5-[3-methyl-4-oxo-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-7-yl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-methoxy-5-[3-methyl-4-oxo-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-7-yl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-methoxy-5-[3-methyl-4-oxo-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-7-yl]benzamide is COc1ccc(-c2cc3ncn(C)c(=O)c3c(NCc3ccncc3)n2)cc1C(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-methoxy-5-[3-methyl-4-oxo-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-7-yl]benzamide?
The InChIKey is KDGPMVMAYFPHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-32-15-30-21-12-20(31-24(23(21)26(32)34)28-13-17-7-9-27-10-8-17)18-5-6-22(35-2)19(11-18)25(33)29-14-16-3-4-16/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,28,31)(H,29,33).
What are the key properties of N-(cyclopropylmethyl)-2-methoxy-5-[3-methyl-4-oxo-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-7-yl]benzamide?
N-(cyclopropylmethyl)-2-methoxy-5-[3-methyl-4-oxo-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-7-yl]benzamide has a molecular weight of 470.53 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-methoxy-5-[3-methyl-4-oxo-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-7-yl]benzamide is sourced from PubChem (CID 58093010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).