N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C13H18N6O — CID 79353896

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H18N6O/c1-18(6-9-4-17-19(2)7-9)13(20)11-3-10-12(5-14-11)16-8-15-10/h4,7-8,11,14H,3,5-6H2,1-2H3,(H,15,16)
InChIKeySGYILRWUJNIWOJ-UHFFFAOYSA-N
MW274.33 g/mol
LogP-0.18
Rot. Bonds3

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79353896) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID79353896
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H18N6O/c1-18(6-9-4-17-19(2)7-9)13(20)11-3-10-12(5-14-11)16-8-15-10/h4,7-8,11,14H,3,5-6H2,1-2H3,(H,15,16)
InChIKeySGYILRWUJNIWOJ-UHFFFAOYSA-N
XLogP-0.18
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79354198
N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79354601
(3-ethyl-3-hydroxyazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 107219635
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76894617
(3-hydroxy-3-propylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 107219908
(3R)-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 94099738
N-methyl-N-(thiolan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79353886
N-(2-amino-2-oxoethyl)-N-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79354321
4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63784679
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119834044
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
cis-(1R,3S)-2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114091934

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79353896) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is CN(Cc1cnn(C)c1)C(=O)C1Cc2nc[nH]c2CN1.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is SGYILRWUJNIWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-18(6-9-4-17-19(2)7-9)13(20)11-3-10-12(5-14-11)16-8-15-10/h4,7-8,11,14H,3,5-6H2,1-2H3,(H,15,16).
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 274.33 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79353896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).