N-[(3S)-1-ethylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide

C21H23N5O — CID 92591236

IUPACN-[(3S)-1-ethylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide
SMILESCCN1CCC[C@H](NC(=O)c2cc(-c3ccncc3)c3cnccc3n2)C1
InChIInChI=1S/C21H23N5O/c1-2-26-11-3-4-16(14-26)24-21(27)20-12-17(15-5-8-22-9-6-15)18-13-23-10-7-19(18)25-20/h5-10,12-13,16H,2-4,11,14H2,1H3,(H,24,27)/t16-/m0/s1
InChIKeyDSXXUNHDHUPUPI-INIZCTEOSA-N
MW361.45 g/mol
LogP2.91
Rot. Bonds4

About N-[(3S)-1-ethylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide

N-[(3S)-1-ethylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide (PubChem CID 92591236) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[(3S)-1-ethylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-ethylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide
PubChem CID92591236
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-[(3S)-1-ethylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide
SMILESCCN1CCC[C@H](NC(=O)c2cc(-c3ccncc3)c3cnccc3n2)C1
InChIInChI=1S/C21H23N5O/c1-2-26-11-3-4-16(14-26)24-21(27)20-12-17(15-5-8-22-9-6-15)18-13-23-10-7-19(18)25-20/h5-10,12-13,16H,2-4,11,14H2,1H3,(H,24,27)/t16-/m0/s1
InChIKeyDSXXUNHDHUPUPI-INIZCTEOSA-N
XLogP2.91
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-methylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide
CID 92608063
N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide
CID 92579284
3-(ethylamino)-N-(1-ethylpiperidin-3-yl)pyridine-4-carboxamide
CID 105069157
N-(1-ethylpiperidin-3-yl)-6-fluoropyridine-2-carboxamide
CID 113323521
N-(1-ethylpiperidin-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765277
N-(1-ethylpiperidin-3-yl)-2-(methylamino)pyridine-4-carboxamide
CID 62175971
6-(ethylamino)-N-(1-ethylpiperidin-3-yl)pyridazine-3-carboxamide
CID 62173485
N-(1-ethylpiperidin-3-yl)-7-fluoro-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide
CID 45247814
4-amino-N-(1-ethylpiperidin-3-yl)-6-methylpyridine-3-carboxamide
CID 81242550
2-amino-N-(1-ethylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide
CID 90978289
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 47344801
5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170350

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-ethylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-[(3S)-1-ethylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide (CID 92591236) is N-[(3S)-1-ethylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-ethylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-[(3S)-1-ethylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide is CCN1CCC[C@H](NC(=O)c2cc(-c3ccncc3)c3cnccc3n2)C1.
What is the InChIKey of N-[(3S)-1-ethylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide?
The InChIKey is DSXXUNHDHUPUPI-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23N5O/c1-2-26-11-3-4-16(14-26)24-21(27)20-12-17(15-5-8-22-9-6-15)18-13-23-10-7-19(18)25-20/h5-10,12-13,16H,2-4,11,14H2,1H3,(H,24,27)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-ethylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide?
N-[(3S)-1-ethylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-ethylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 92591236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).