4-chloro-N-[1-(dimethylamino)propan-2-yl]-6-methylpyridine-3-carboxamide

C12H18ClN3O — CID 82944808

IUPAC4-chloro-N-[1-(dimethylamino)propan-2-yl]-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NC(C)CN(C)C)cn1
InChIInChI=1S/C12H18ClN3O/c1-8-5-11(13)10(6-14-8)12(17)15-9(2)7-16(3)4/h5-6,9H,7H2,1-4H3,(H,15,17)
InChIKeyOZLXKFDXCHVMKF-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.72
Rot. Bonds4

About 4-chloro-N-[1-(dimethylamino)propan-2-yl]-6-methylpyridine-3-carboxamide

4-chloro-N-[1-(dimethylamino)propan-2-yl]-6-methylpyridine-3-carboxamide (PubChem CID 82944808) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-chloro-N-[1-(dimethylamino)propan-2-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(dimethylamino)propan-2-yl]-6-methylpyridine-3-carboxamide
PubChem CID82944808
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name4-chloro-N-[1-(dimethylamino)propan-2-yl]-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NC(C)CN(C)C)cn1
InChIInChI=1S/C12H18ClN3O/c1-8-5-11(13)10(6-14-8)12(17)15-9(2)7-16(3)4/h5-6,9H,7H2,1-4H3,(H,15,17)
InChIKeyOZLXKFDXCHVMKF-UHFFFAOYSA-N
XLogP1.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(4-hydroxybutan-2-yl)-6-methylpyridine-3-carboxamide
CID 115283582
4-chloro-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide
CID 113461638
3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide
CID 82939115
4-chloro-6-methyl-N-(3-methylpentan-2-yl)pyridine-3-carboxamide
CID 81226447
4-chloro-N-(1-cyanopropyl)-6-methylpyridine-3-carboxamide
CID 103859693
4-chloro-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-3-carboxamide
CID 81226919
4-chloro-N-(dicyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81226364
4-chloro-6-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
CID 103949111
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide
CID 106832389
tert-butyl (2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]propanoate
CID 103873980
4-chloro-6-methyl-N-(1-methylcyclopentyl)pyridine-3-carboxamide
CID 81226891
4-chloro-N-[1-(furan-2-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 81225644

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(dimethylamino)propan-2-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[1-(dimethylamino)propan-2-yl]-6-methylpyridine-3-carboxamide (CID 82944808) is 4-chloro-N-[1-(dimethylamino)propan-2-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(dimethylamino)propan-2-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(dimethylamino)propan-2-yl]-6-methylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NC(C)CN(C)C)cn1.
What is the InChIKey of 4-chloro-N-[1-(dimethylamino)propan-2-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is OZLXKFDXCHVMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8-5-11(13)10(6-14-8)12(17)15-9(2)7-16(3)4/h5-6,9H,7H2,1-4H3,(H,15,17).
What are the key properties of 4-chloro-N-[1-(dimethylamino)propan-2-yl]-6-methylpyridine-3-carboxamide?
4-chloro-N-[1-(dimethylamino)propan-2-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 255.75 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(dimethylamino)propan-2-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 82944808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).