5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide

C12H14ClN5O — CID 114923790

IUPAC5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)Cc2ncc[nH]2)c(Cl)cn1
InChIInChI=1S/C12H14ClN5O/c1-14-10-5-8(9(13)6-17-10)12(19)18(2)7-11-15-3-4-16-11/h3-6H,7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyXPOKSVMRVFAHMJ-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.77
Rot. Bonds4

About 5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide

5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide (PubChem CID 114923790) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
PubChem CID114923790
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)Cc2ncc[nH]2)c(Cl)cn1
InChIInChI=1S/C12H14ClN5O/c1-14-10-5-8(9(13)6-17-10)12(19)18(2)7-11-15-3-4-16-11/h3-6H,7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyXPOKSVMRVFAHMJ-UHFFFAOYSA-N
XLogP1.77
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-N-methyl-5-(methylamino)pyrazine-2-carboxamide
CID 107375868
3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 66484932
5-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924673
2-chloro-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylbenzamide
CID 106509738
5-bromo-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 64518925
2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64510774
3-chloro-6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 64516802
4-amino-N-(1H-imidazol-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 81245737
3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide
CID 103736159
5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924347
5-chloro-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
CID 114923612
2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,5-dimethylbenzamide
CID 63929949

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide (CID 114923790) is 5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)N(C)Cc2ncc[nH]2)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is XPOKSVMRVFAHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-14-10-5-8(9(13)6-17-10)12(19)18(2)7-11-15-3-4-16-11/h3-6H,7H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide?
5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114923790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).