3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide

C11H16ClN3O — CID 82939115

IUPAC3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide
SMILESCC(CN(C)C)NC(=O)c1ccncc1Cl
InChIInChI=1S/C11H16ClN3O/c1-8(7-15(2)3)14-11(16)9-4-5-13-6-10(9)12/h4-6,8H,7H2,1-3H3,(H,14,16)
InChIKeyZTCHSFULQRJSHM-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.41
Rot. Bonds4

About 3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide

3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide (PubChem CID 82939115) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide
PubChem CID82939115
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide
SMILESCC(CN(C)C)NC(=O)c1ccncc1Cl
InChIInChI=1S/C11H16ClN3O/c1-8(7-15(2)3)14-11(16)9-4-5-13-6-10(9)12/h4-6,8H,7H2,1-3H3,(H,14,16)
InChIKeyZTCHSFULQRJSHM-UHFFFAOYSA-N
XLogP1.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-4-carboxamide
CID 66484293
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
N-[1-(dimethylamino)propan-2-yl]-3-hydrazinylpyridine-4-carboxamide
CID 105072402
N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)pyridine-3-carboxamide
CID 82949883
4-amino-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide
CID 82950592
N-[1-(dimethylamino)propan-2-yl]-3-(propylamino)pyridine-4-carboxamide
CID 105070967
4-chloro-N-[1-(dimethylamino)propan-2-yl]-6-methylpyridine-3-carboxamide
CID 82944808
(2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid
CID 66462207
3-chloro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-4-carboxamide
CID 66484690
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 66464223
3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 66484526

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide (CID 82939115) is 3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide is CC(CN(C)C)NC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide?
The InChIKey is ZTCHSFULQRJSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8(7-15(2)3)14-11(16)9-4-5-13-6-10(9)12/h4-6,8H,7H2,1-3H3,(H,14,16).
What are the key properties of 3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide?
3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide has a molecular weight of 241.72 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 82939115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).