N,N-dimethyl-4-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide

C13H17N5O — CID 63295796

IUPACN,N-dimethyl-4-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(NCc2nccn2C)ccn1
InChIInChI=1S/C13H17N5O/c1-17(2)13(19)11-8-10(4-5-14-11)16-9-12-15-6-7-18(12)3/h4-8H,9H2,1-3H3,(H,14,16)
InChIKeyCPNSBGHAKFKBFL-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.13
Rot. Bonds4

About N,N-dimethyl-4-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide

N,N-dimethyl-4-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide (PubChem CID 63295796) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N,N-dimethyl-4-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide
PubChem CID63295796
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN,N-dimethyl-4-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(NCc2nccn2C)ccn1
InChIInChI=1S/C13H17N5O/c1-17(2)13(19)11-8-10(4-5-14-11)16-9-12-15-6-7-18(12)3/h4-8H,9H2,1-3H3,(H,14,16)
InChIKeyCPNSBGHAKFKBFL-UHFFFAOYSA-N
XLogP1.13
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridine-2-carboxamide
CID 61348905
4-[[4-(hydroxymethyl)phenyl]methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 107232295
N,N-dimethyl-4-[[2-(methylamino)-2-oxoethyl]amino]pyridine-2-carboxamide
CID 43395819
4-[(4,5-dimethylthiophen-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 65243446
4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 113282785
N,N-dimethyl-4-(1H-pyrazol-4-ylmethylamino)pyridine-2-carboxamide
CID 54897544
4-(ethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62173804
4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395771
4-(cyclopentylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43517479
N,N-dimethyl-4-[(4-methyl-3-pyridinyl)methylamino]pyridine-2-carboxamide
CID 114956582
N,N-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxamide
CID 63281075
N,N-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carboxamide
CID 60703987

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide (CID 63295796) is N,N-dimethyl-4-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide is CN(C)C(=O)c1cc(NCc2nccn2C)ccn1.
What is the InChIKey of N,N-dimethyl-4-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide?
The InChIKey is CPNSBGHAKFKBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-17(2)13(19)11-8-10(4-5-14-11)16-9-12-15-6-7-18(12)3/h4-8H,9H2,1-3H3,(H,14,16).
What are the key properties of N,N-dimethyl-4-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide?
N,N-dimethyl-4-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 63295796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).