N-[(1S)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-1-methyl-6-oxopyridine-3-carboxamide

C23H25N5O2 — CID 92610348

IUPACN-[(1S)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCNc1cc(C[C@H](NC(=O)c2ccc(=O)n(C)c2)c2ccccc2)nc(C2CC2)n1
InChIInChI=1S/C23H25N5O2/c1-24-20-13-18(25-22(27-20)16-8-9-16)12-19(15-6-4-3-5-7-15)26-23(30)17-10-11-21(29)28(2)14-17/h3-7,10-11,13-14,16,19H,8-9,12H2,1-2H3,(H,26,30)(H,24,25,27)/t19-/m0/s1
InChIKeyANSYGOYGWHJCBF-IBGZPJMESA-N
MW403.49 g/mol
LogP2.81
Rot. Bonds7

About N-[(1S)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-1-methyl-6-oxopyridine-3-carboxamide

N-[(1S)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 92610348) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[(1S)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID92610348
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[(1S)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCNc1cc(C[C@H](NC(=O)c2ccc(=O)n(C)c2)c2ccccc2)nc(C2CC2)n1
InChIInChI=1S/C23H25N5O2/c1-24-20-13-18(25-22(27-20)16-8-9-16)12-19(15-6-4-3-5-7-15)26-23(30)17-10-11-21(29)28(2)14-17/h3-7,10-11,13-14,16,19H,8-9,12H2,1-2H3,(H,26,30)(H,24,25,27)/t19-/m0/s1
InChIKeyANSYGOYGWHJCBF-IBGZPJMESA-N
XLogP2.81
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 110225630
N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-4-methoxycyclohexane-1-carboxamide
CID 110225619
N-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide
CID 136858703
N-[(1R)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 92560528
N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 110225631
N-[(1S)-2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]propanamide
CID 92585527
N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]-2-methoxyacetamide
CID 110225613
N-[(1R)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-3-methoxybenzamide
CID 136850324
1-methyl-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-6-oxopyridine-3-carboxamide
CID 46964107
1-methyl-6-oxo-N-[(5R)-2,3,4,5-tetrahydrobenzo[i][1]benzoxepin-5-yl]pyridine-3-carboxamide
CID 97007354
N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 110243936
1-methyl-N-(1-phenyl-2-pyridin-2-ylethyl)-2,3-dihydroindole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(1S)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 92610348) is N-[(1S)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-1-methyl-6-oxopyridine-3-carboxamide is CNc1cc(C[C@H](NC(=O)c2ccc(=O)n(C)c2)c2ccccc2)nc(C2CC2)n1.
What is the InChIKey of N-[(1S)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is ANSYGOYGWHJCBF-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25N5O2/c1-24-20-13-18(25-22(27-20)16-8-9-16)12-19(15-6-4-3-5-7-15)26-23(30)17-10-11-21(29)28(2)14-17/h3-7,10-11,13-14,16,19H,8-9,12H2,1-2H3,(H,26,30)(H,24,25,27)/t19-/m0/s1.
What are the key properties of N-[(1S)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[(1S)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 92610348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).