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

C20H21N5O — CID 92608063

IUPACN-[(3S)-1-methylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide
SMILESCN1CCC[C@H](NC(=O)c2cc(-c3ccncc3)c3cnccc3n2)C1
InChIInChI=1S/C20H21N5O/c1-25-10-2-3-15(13-25)23-20(26)19-11-16(14-4-7-21-8-5-14)17-12-22-9-6-18(17)24-19/h4-9,11-12,15H,2-3,10,13H2,1H3,(H,23,26)/t15-/m0/s1
InChIKeyOAFSVYGDWGIPFC-HNNXBMFYSA-N
MW347.42 g/mol
LogP2.52
Rot. Bonds3

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

N-[(3S)-1-methylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide (PubChem CID 92608063) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(3S)-1-methylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-methylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide
PubChem CID92608063
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[(3S)-1-methylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide
SMILESCN1CCC[C@H](NC(=O)c2cc(-c3ccncc3)c3cnccc3n2)C1
InChIInChI=1S/C20H21N5O/c1-25-10-2-3-15(13-25)23-20(26)19-11-16(14-4-7-21-8-5-14)17-12-22-9-6-18(17)24-19/h4-9,11-12,15H,2-3,10,13H2,1H3,(H,23,26)/t15-/m0/s1
InChIKeyOAFSVYGDWGIPFC-HNNXBMFYSA-N
XLogP2.52
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-methylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-[(3S)-1-methylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide (CID 92608063) is N-[(3S)-1-methylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-methylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-[(3S)-1-methylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide is CN1CCC[C@H](NC(=O)c2cc(-c3ccncc3)c3cnccc3n2)C1.
What is the InChIKey of N-[(3S)-1-methylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide?
The InChIKey is OAFSVYGDWGIPFC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-25-10-2-3-15(13-25)23-20(26)19-11-16(14-4-7-21-8-5-14)17-12-22-9-6-18(17)24-19/h4-9,11-12,15H,2-3,10,13H2,1H3,(H,23,26)/t15-/m0/s1.
What are the key properties of N-[(3S)-1-methylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide?
N-[(3S)-1-methylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-methylpiperidin-3-yl]-4-pyridin-4-yl-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 92608063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).