N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide

C16H27N5O2 — CID 166985947

IUPACN-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide
SMILESCNC(=O)CCCn1c(NC(C)C)nc2c(c1=O)C[C@@H](C)NC2
InChIInChI=1S/C16H27N5O2/c1-10(2)19-16-20-13-9-18-11(3)8-12(13)15(23)21(16)7-5-6-14(22)17-4/h10-11,18H,5-9H2,1-4H3,(H,17,22)(H,19,20)/t11-/m1/s1
InChIKeyINXMVKWZOUTSLO-LLVKDONJSA-N
MW321.43 g/mol
LogP0.62
Rot. Bonds6

About N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide

N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide (PubChem CID 166985947) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide.

Molecular Properties

Compound NameN-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide
PubChem CID166985947
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide
SMILESCNC(=O)CCCn1c(NC(C)C)nc2c(c1=O)C[C@@H](C)NC2
InChIInChI=1S/C16H27N5O2/c1-10(2)19-16-20-13-9-18-11(3)8-12(13)15(23)21(16)7-5-6-14(22)17-4/h10-11,18H,5-9H2,1-4H3,(H,17,22)(H,19,20)/t11-/m1/s1
InChIKeyINXMVKWZOUTSLO-LLVKDONJSA-N
XLogP0.62
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

"N-methyl-2-(4-methylpiperazino)-4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepine-7-carboxamide"
CID 136665474
2-(dimethylamino)-7-(4,4,4-trifluorobutanoyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136185497
6-methyl-2-(4-methylpiperazino)-5-propyl-4(3H)-pyrimidinone
CID 135491339
2-(4-ethylpiperazin-1-yl)-6-methyl-5-propylpyrimidin-4(3H)-one
CID 135644657
2-(dimethylamino)-7-D-prolyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136164906
3-methyl-4-oxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 136533765
3-methyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 146089896
N-[3-(2-Acetamido-6-methyl-4-oxo-1,4-dihydropyrimidin-5-yl)propyl]acetamide
CID 135463847
N-[3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propyl]acetamide
CID 135463848
5-ethyl-4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135515953
N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)piperazino]acetamide
CID 135515955
1,3,6-Trimethyl-5-[(4-oxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)methyl]pyrimidine-2,4-dione
CID 136673330

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide?
The IUPAC name of N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide (CID 166985947) is N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide.
What is the SMILES notation for N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide?
The canonical SMILES for N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide is CNC(=O)CCCn1c(NC(C)C)nc2c(c1=O)C[C@@H](C)NC2.
What is the InChIKey of N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide?
The InChIKey is INXMVKWZOUTSLO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-10(2)19-16-20-13-9-18-11(3)8-12(13)15(23)21(16)7-5-6-14(22)17-4/h10-11,18H,5-9H2,1-4H3,(H,17,22)(H,19,20)/t11-/m1/s1.
What are the key properties of N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide?
N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide has a molecular weight of 321.43 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide is sourced from PubChem (CID 166985947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).