N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-1,8-naphthyridine-2-carboxamide

C15H18N4O2 — CID 50969169

IUPACN-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-1,8-naphthyridine-2-carboxamide
SMILESCN1C[C@H](NC(=O)c2ccc3cccnc3n2)C[C@H]1CO
InChIInChI=1S/C15H18N4O2/c1-19-8-11(7-12(19)9-20)17-15(21)13-5-4-10-3-2-6-16-14(10)18-13/h2-6,11-12,20H,7-9H2,1H3,(H,17,21)/t11-,12+/m1/s1
InChIKeyIZUAMTYWZRWOTP-NEPJUHHUSA-N
MW286.33 g/mol
LogP0.42
Rot. Bonds3

About N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-1,8-naphthyridine-2-carboxamide

N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-1,8-naphthyridine-2-carboxamide (PubChem CID 50969169) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-1,8-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-1,8-naphthyridine-2-carboxamide
PubChem CID50969169
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-1,8-naphthyridine-2-carboxamide
SMILESCN1C[C@H](NC(=O)c2ccc3cccnc3n2)C[C@H]1CO
InChIInChI=1S/C15H18N4O2/c1-19-8-11(7-12(19)9-20)17-15(21)13-5-4-10-3-2-6-16-14(10)18-13/h2-6,11-12,20H,7-9H2,1H3,(H,17,21)/t11-,12+/m1/s1
InChIKeyIZUAMTYWZRWOTP-NEPJUHHUSA-N
XLogP0.42
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutyl-1,8-naphthyridine-2-carboxamide
CID 177046765
N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4-phenoxybenzamide
CID 50968700
1,8-naphthyridine-2-carbonyl chloride
CID 129321879
N-[(1S,5R)-3-(5-ethylthiophene-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,8-naphthyridine-2-carboxamide
CID 138048512
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,8-naphthyridine-2-carboxamide
CID 146110346
methyl 2-[5-fluoro-2-methyl-3-[3-(1,8-naphthyridine-2-carbonylamino)cyclobutyl]indol-1-yl]acetate
CID 130422546
4-chloro-N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-1-methylindole-2-carboxamide
CID 121494335
N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 50952647
2-[(3S,4R)-3-(1,8-naphthyridine-2-carbonylamino)oxan-4-yl]oxyacetic acid
CID 133268188
8-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide
CID 67293350
N-[(3S,5S)-5-(hydroxymethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 71687127
N-[(2-fluorophenyl)methyl]-1,8-naphthyridine-2-carboxamide
CID 16728138

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-1,8-naphthyridine-2-carboxamide?
The IUPAC name of N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-1,8-naphthyridine-2-carboxamide (CID 50969169) is N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-1,8-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-1,8-naphthyridine-2-carboxamide?
The canonical SMILES for N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-1,8-naphthyridine-2-carboxamide is CN1C[C@H](NC(=O)c2ccc3cccnc3n2)C[C@H]1CO.
What is the InChIKey of N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-1,8-naphthyridine-2-carboxamide?
The InChIKey is IZUAMTYWZRWOTP-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-19-8-11(7-12(19)9-20)17-15(21)13-5-4-10-3-2-6-16-14(10)18-13/h2-6,11-12,20H,7-9H2,1H3,(H,17,21)/t11-,12+/m1/s1.
What are the key properties of N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-1,8-naphthyridine-2-carboxamide?
N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-1,8-naphthyridine-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-1,8-naphthyridine-2-carboxamide is sourced from PubChem (CID 50969169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).