N-[(2S)-2-(ethylamino)-3-oxopentyl]pyridine-2-carboxamide

C13H19N3O2 — CID 162019589

IUPACN-[(2S)-2-(ethylamino)-3-oxopentyl]pyridine-2-carboxamide
SMILESCCN[C@@H](CNC(=O)c1ccccn1)C(=O)CC
InChIInChI=1S/C13H19N3O2/c1-3-12(17)11(14-4-2)9-16-13(18)10-7-5-6-8-15-10/h5-8,11,14H,3-4,9H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyHVBFWMQIRMHERU-NSHDSACASA-N
MW249.31 g/mol
LogP0.77
Rot. Bonds7

About N-[(2S)-2-(ethylamino)-3-oxopentyl]pyridine-2-carboxamide

N-[(2S)-2-(ethylamino)-3-oxopentyl]pyridine-2-carboxamide (PubChem CID 162019589) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(2S)-2-(ethylamino)-3-oxopentyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(ethylamino)-3-oxopentyl]pyridine-2-carboxamide
PubChem CID162019589
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[(2S)-2-(ethylamino)-3-oxopentyl]pyridine-2-carboxamide
SMILESCCN[C@@H](CNC(=O)c1ccccn1)C(=O)CC
InChIInChI=1S/C13H19N3O2/c1-3-12(17)11(14-4-2)9-16-13(18)10-7-5-6-8-15-10/h5-8,11,14H,3-4,9H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyHVBFWMQIRMHERU-NSHDSACASA-N
XLogP0.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(ethylamino)-3-oxopentyl]pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-2-(ethylamino)-3-oxopentyl]pyridine-2-carboxamide (CID 162019589) is N-[(2S)-2-(ethylamino)-3-oxopentyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(ethylamino)-3-oxopentyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(ethylamino)-3-oxopentyl]pyridine-2-carboxamide is CCN[C@@H](CNC(=O)c1ccccn1)C(=O)CC.
What is the InChIKey of N-[(2S)-2-(ethylamino)-3-oxopentyl]pyridine-2-carboxamide?
The InChIKey is HVBFWMQIRMHERU-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-12(17)11(14-4-2)9-16-13(18)10-7-5-6-8-15-10/h5-8,11,14H,3-4,9H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of N-[(2S)-2-(ethylamino)-3-oxopentyl]pyridine-2-carboxamide?
N-[(2S)-2-(ethylamino)-3-oxopentyl]pyridine-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(ethylamino)-3-oxopentyl]pyridine-2-carboxamide is sourced from PubChem (CID 162019589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).