N-[3-[(2-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide

C21H27N5O2 — CID 135944492

IUPACN-[3-[(2-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccncc1CN1CCc2nc(C3CC3)[nH]c(=O)c2C1
InChIInChI=1S/C21H27N5O2/c1-21(2,3)20(28)24-16-6-8-22-10-14(16)11-26-9-7-17-15(12-26)19(27)25-18(23-17)13-4-5-13/h6,8,10,13H,4-5,7,9,11-12H2,1-3H3,(H,22,24,28)(H,23,25,27)
InChIKeyCRPDFWURWCMFJM-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.59
Rot. Bonds4

About N-[3-[(2-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide

N-[3-[(2-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 135944492) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[3-[(2-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[(2-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide
PubChem CID135944492
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[3-[(2-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccncc1CN1CCc2nc(C3CC3)[nH]c(=O)c2C1
InChIInChI=1S/C21H27N5O2/c1-21(2,3)20(28)24-16-6-8-22-10-14(16)11-26-9-7-17-15(12-26)19(27)25-18(23-17)13-4-5-13/h6,8,10,13H,4-5,7,9,11-12H2,1-3H3,(H,22,24,28)(H,23,25,27)
InChIKeyCRPDFWURWCMFJM-UHFFFAOYSA-N
XLogP2.59
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947468
2-cyclopropyl-6-(pyrimidin-5-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944892
2-cyclopropyl-6-[[2-(trifluoromethyl)phenyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918219
2-cyclopropyl-6-[(2-methylpyrazol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944852
6-[(6-chloro-3-pyridinyl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944532
2-cyclopropyl-6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944112
2-cyclohexyl-6-[(2-methyl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947828
2-cyclopropyl-6-[(2,3-dimethoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916700
2-cyclopropyl-6-[(5-iodofuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862424
6-[(2-aminopyrimidin-5-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944972
2-cyclopropyl-6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946552
6-[(2-chloro-7-methylquinolin-3-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942974

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[(2-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide (CID 135944492) is N-[3-[(2-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[(2-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[(2-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccncc1CN1CCc2nc(C3CC3)[nH]c(=O)c2C1.
What is the InChIKey of N-[3-[(2-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is CRPDFWURWCMFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-21(2,3)20(28)24-16-6-8-22-10-14(16)11-26-9-7-17-15(12-26)19(27)25-18(23-17)13-4-5-13/h6,8,10,13H,4-5,7,9,11-12H2,1-3H3,(H,22,24,28)(H,23,25,27).
What are the key properties of N-[3-[(2-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide?
N-[3-[(2-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 381.48 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 135944492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).