N-methyl-2-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyridine-3-carboxamide

C16H21N5O — CID 135110526

IUPACN-methyl-2-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NCC1(Cn2ccnc2C)CC1
InChIInChI=1S/C16H21N5O/c1-12-18-8-9-21(12)11-16(5-6-16)10-20-14-13(15(22)17-2)4-3-7-19-14/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,17,22)(H,19,20)
InChIKeyGATJBULXLRMLGC-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.84
Rot. Bonds6

About N-methyl-2-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyridine-3-carboxamide

N-methyl-2-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyridine-3-carboxamide (PubChem CID 135110526) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-methyl-2-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyridine-3-carboxamide
PubChem CID135110526
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-methyl-2-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NCC1(Cn2ccnc2C)CC1
InChIInChI=1S/C16H21N5O/c1-12-18-8-9-21(12)11-16(5-6-16)10-20-14-13(15(22)17-2)4-3-7-19-14/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,17,22)(H,19,20)
InChIKeyGATJBULXLRMLGC-UHFFFAOYSA-N
XLogP1.84
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[(1-methylcyclopentyl)methylamino]pyridine-3-carboxamide
CID 133321099
3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1-propylpyrazole-4-carboxamide
CID 72885985
2-(dimethylamino)-2-(3-fluorophenyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide
CID 72928509
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide
CID 97207873
N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide
CID 77092907
2-[(2-hydroxycyclopentyl)methylamino]-N-methylpyridine-3-carboxamide
CID 133324096
[2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133496686
ethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-3-carboxylate
CID 103967298
2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-methylpyridine-3-carboxamide
CID 133328257
2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-N-methylpyridine-3-carboxamide
CID 133322148
1-[(2-methylimidazol-1-yl)methyl]cyclopropane-1-carboxylic acid
CID 84657338
acetic acid;2-(2-aminoethoxy)-5-fluoro-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]benzamide
CID 154904996

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyridine-3-carboxamide (CID 135110526) is N-methyl-2-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyridine-3-carboxamide is CNC(=O)c1cccnc1NCC1(Cn2ccnc2C)CC1.
What is the InChIKey of N-methyl-2-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyridine-3-carboxamide?
The InChIKey is GATJBULXLRMLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12-18-8-9-21(12)11-16(5-6-16)10-20-14-13(15(22)17-2)4-3-7-19-14/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,17,22)(H,19,20).
What are the key properties of N-methyl-2-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyridine-3-carboxamide?
N-methyl-2-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyridine-3-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 135110526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).