4-amino-N-(1H-imidazol-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide

C12H15N5O — CID 81245737

IUPAC4-amino-N-(1H-imidazol-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)N(C)Cc2ncc[nH]2)cn1
InChIInChI=1S/C12H15N5O/c1-8-5-10(13)9(6-16-8)12(18)17(2)7-11-14-3-4-15-11/h3-6H,7H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyYBNAEBPJRVNFCX-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.97
Rot. Bonds3

About 4-amino-N-(1H-imidazol-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide

4-amino-N-(1H-imidazol-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide (PubChem CID 81245737) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-amino-N-(1H-imidazol-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1H-imidazol-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
PubChem CID81245737
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-amino-N-(1H-imidazol-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)N(C)Cc2ncc[nH]2)cn1
InChIInChI=1S/C12H15N5O/c1-8-5-10(13)9(6-16-8)12(18)17(2)7-11-14-3-4-15-11/h3-6H,7H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyYBNAEBPJRVNFCX-UHFFFAOYSA-N
XLogP0.97
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64510774
4-amino-N-butyl-N,6-dimethylpyridine-3-carboxamide
CID 81234919
6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 64519117
4-amino-N,6-dimethyl-N-pentylpyridine-3-carboxamide
CID 81236445
2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,5-dimethylbenzamide
CID 63929949
4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide
CID 113341404
2-chloro-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylbenzamide
CID 106509738
4-amino-N,6-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 81245334
N-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide
CID 63930376
4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81240859
3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 66484932
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64516996

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1H-imidazol-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 4-amino-N-(1H-imidazol-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide (CID 81245737) is 4-amino-N-(1H-imidazol-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1H-imidazol-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-(1H-imidazol-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide is Cc1cc(N)c(C(=O)N(C)Cc2ncc[nH]2)cn1.
What is the InChIKey of 4-amino-N-(1H-imidazol-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide?
The InChIKey is YBNAEBPJRVNFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-5-10(13)9(6-16-8)12(18)17(2)7-11-14-3-4-15-11/h3-6H,7H2,1-2H3,(H2,13,16)(H,14,15).
What are the key properties of 4-amino-N-(1H-imidazol-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide?
4-amino-N-(1H-imidazol-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1H-imidazol-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 81245737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).