2-chloro-N-[(2S)-2-(diethylamino)propyl]-6-(propanoylamino)pyridine-4-carboxamide

C16H25ClN4O2 — CID 134540207

IUPAC2-chloro-N-[(2S)-2-(diethylamino)propyl]-6-(propanoylamino)pyridine-4-carboxamide
SMILESCCC(=O)Nc1cc(C(=O)NC[C@H](C)N(CC)CC)cc(Cl)n1
InChIInChI=1S/C16H25ClN4O2/c1-5-15(22)20-14-9-12(8-13(17)19-14)16(23)18-10-11(4)21(6-2)7-3/h8-9,11H,5-7,10H2,1-4H3,(H,18,23)(H,19,20,22)/t11-/m0/s1
InChIKeyHEQVCPVXMYFPML-NSHDSACASA-N
MW340.86 g/mol
LogP2.54
Rot. Bonds8

About 2-chloro-N-[(2S)-2-(diethylamino)propyl]-6-(propanoylamino)pyridine-4-carboxamide

2-chloro-N-[(2S)-2-(diethylamino)propyl]-6-(propanoylamino)pyridine-4-carboxamide (PubChem CID 134540207) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-2-(diethylamino)propyl]-6-(propanoylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-2-(diethylamino)propyl]-6-(propanoylamino)pyridine-4-carboxamide
PubChem CID134540207
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC Name2-chloro-N-[(2S)-2-(diethylamino)propyl]-6-(propanoylamino)pyridine-4-carboxamide
SMILESCCC(=O)Nc1cc(C(=O)NC[C@H](C)N(CC)CC)cc(Cl)n1
InChIInChI=1S/C16H25ClN4O2/c1-5-15(22)20-14-9-12(8-13(17)19-14)16(23)18-10-11(4)21(6-2)7-3/h8-9,11H,5-7,10H2,1-4H3,(H,18,23)(H,19,20,22)/t11-/m0/s1
InChIKeyHEQVCPVXMYFPML-NSHDSACASA-N
XLogP2.54
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[6-chloro-4-[2-(diethylamino)propylcarbamoyl]-2-pyridinyl]carbamic acid
CID 134540142
2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide
CID 115649303
3-bromo-5-chloro-N-[2-(diethylamino)propyl]benzamide
CID 110620419
2-chloro-6-hydrazinyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62692731
2-chloro-6-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 55052122
2-chloro-N-(4-hydroxy-2-methylpentyl)-6-(methylamino)pyridine-4-carboxamide
CID 111447865
2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide
CID 111115777
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
N-[(2S)-2-(diethylamino)propyl]-3,5-bis(trifluoromethyl)benzamide
CID 52585751
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 62177585
2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide
CID 113477234
2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide
CID 62165976

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-2-(diethylamino)propyl]-6-(propanoylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(2S)-2-(diethylamino)propyl]-6-(propanoylamino)pyridine-4-carboxamide (CID 134540207) is 2-chloro-N-[(2S)-2-(diethylamino)propyl]-6-(propanoylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2S)-2-(diethylamino)propyl]-6-(propanoylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(2S)-2-(diethylamino)propyl]-6-(propanoylamino)pyridine-4-carboxamide is CCC(=O)Nc1cc(C(=O)NC[C@H](C)N(CC)CC)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-[(2S)-2-(diethylamino)propyl]-6-(propanoylamino)pyridine-4-carboxamide?
The InChIKey is HEQVCPVXMYFPML-NSHDSACASA-N. The full InChI is InChI=1S/C16H25ClN4O2/c1-5-15(22)20-14-9-12(8-13(17)19-14)16(23)18-10-11(4)21(6-2)7-3/h8-9,11H,5-7,10H2,1-4H3,(H,18,23)(H,19,20,22)/t11-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-2-(diethylamino)propyl]-6-(propanoylamino)pyridine-4-carboxamide?
2-chloro-N-[(2S)-2-(diethylamino)propyl]-6-(propanoylamino)pyridine-4-carboxamide has a molecular weight of 340.86 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-2-(diethylamino)propyl]-6-(propanoylamino)pyridine-4-carboxamide is sourced from PubChem (CID 134540207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).