N-[3-[2-[(1R)-1-hydroxybutyl]-4-methylpyrimidin-5-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide

C22H25N5O3 — CID 171556431

IUPACN-[3-[2-[(1R)-1-hydroxybutyl]-4-methylpyrimidin-5-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
SMILESCCC[C@@H](O)c1ncc(-c2cc3cnc(NC(=O)C4CC4)cc3n(C)c2=O)c(C)n1
InChIInChI=1S/C22H25N5O3/c1-4-5-18(28)20-24-11-16(12(2)25-20)15-8-14-10-23-19(26-21(29)13-6-7-13)9-17(14)27(3)22(15)30/h8-11,13,18,28H,4-7H2,1-3H3,(H,23,26,29)/t18-/m1/s1
InChIKeyZYBKBFUHNMXWBD-GOSISDBHSA-N
MW407.47 g/mol
LogP2.88
Rot. Bonds6

About N-[3-[2-[(1R)-1-hydroxybutyl]-4-methylpyrimidin-5-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide

N-[3-[2-[(1R)-1-hydroxybutyl]-4-methylpyrimidin-5-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide (PubChem CID 171556431) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[3-[2-[(1R)-1-hydroxybutyl]-4-methylpyrimidin-5-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-[(1R)-1-hydroxybutyl]-4-methylpyrimidin-5-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
PubChem CID171556431
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-[3-[2-[(1R)-1-hydroxybutyl]-4-methylpyrimidin-5-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
SMILESCCC[C@@H](O)c1ncc(-c2cc3cnc(NC(=O)C4CC4)cc3n(C)c2=O)c(C)n1
InChIInChI=1S/C22H25N5O3/c1-4-5-18(28)20-24-11-16(12(2)25-20)15-8-14-10-23-19(26-21(29)13-6-7-13)9-17(14)27(3)22(15)30/h8-11,13,18,28H,4-7H2,1-3H3,(H,23,26,29)/t18-/m1/s1
InChIKeyZYBKBFUHNMXWBD-GOSISDBHSA-N
XLogP2.88
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 36
CID 5330222
trans-2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(6-methylpyridin-3-yl)pteridin-7(8H)-one
CID 49800133
7-Amino-1-cyclopentyl-3-(2-methoxypyrimidin-5-yl)-5-methyl-1,6-naphthyridin-2-one
CID 76321299
6-[[2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-methyl-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 168295503
8-cyclopentyl-6-ethyl-2-(4-hydroxy-3,4,5,6-tetrahydro-2H-[1,3']bipyridinyl-6'-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 22329929
2-Amino-6-[6-(dimethylamino)-3-pyridinyl]-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 25032305
2-Amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 25032716
2-Amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(6-pyrrolidin-1-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-7-one
CID 25032719
2-Amino-8-cyclopentyl-6-[6-(dimethylamino)-5-methyl-3-pyridinyl]-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 25032975
2-Amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59258839
5-[2-Amino-8-(4-hydroxycyclohexyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyridine-2-carbonitrile
CID 59258889
7-(2-Aminopyrimidin-5-yl)-5-(tert-butylamino)-3-(2-hydroxyethyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959544

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(1R)-1-hydroxybutyl]-4-methylpyrimidin-5-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-[(1R)-1-hydroxybutyl]-4-methylpyrimidin-5-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide (CID 171556431) is N-[3-[2-[(1R)-1-hydroxybutyl]-4-methylpyrimidin-5-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-[(1R)-1-hydroxybutyl]-4-methylpyrimidin-5-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-[(1R)-1-hydroxybutyl]-4-methylpyrimidin-5-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide is CCC[C@@H](O)c1ncc(-c2cc3cnc(NC(=O)C4CC4)cc3n(C)c2=O)c(C)n1.
What is the InChIKey of N-[3-[2-[(1R)-1-hydroxybutyl]-4-methylpyrimidin-5-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide?
The InChIKey is ZYBKBFUHNMXWBD-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-4-5-18(28)20-24-11-16(12(2)25-20)15-8-14-10-23-19(26-21(29)13-6-7-13)9-17(14)27(3)22(15)30/h8-11,13,18,28H,4-7H2,1-3H3,(H,23,26,29)/t18-/m1/s1.
What are the key properties of N-[3-[2-[(1R)-1-hydroxybutyl]-4-methylpyrimidin-5-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide?
N-[3-[2-[(1R)-1-hydroxybutyl]-4-methylpyrimidin-5-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(1R)-1-hydroxybutyl]-4-methylpyrimidin-5-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide is sourced from PubChem (CID 171556431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).