N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide

C12H15N5O — CID 142714628

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn[nH]c1
InChIInChI=1S/C12H15N5O/c1-7-3-11(13)17-8(2)10(7)6-14-12(18)9-4-15-16-5-9/h3-5H,6H2,1-2H3,(H2,13,17)(H,14,18)(H,15,16)
InChIKeyAZCCNWZHDAZNCW-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.93
Rot. Bonds3

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 142714628) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID142714628
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn[nH]c1
InChIInChI=1S/C12H15N5O/c1-7-3-11(13)17-8(2)10(7)6-14-12(18)9-4-15-16-5-9/h3-5H,6H2,1-2H3,(H2,13,17)(H,14,18)(H,15,16)
InChIKeyAZCCNWZHDAZNCW-UHFFFAOYSA-N
XLogP0.93
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[4,6-dimethyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamic acid
CID 66723619
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide;ethyl 1H-pyrazole-4-carboxylate;1-[(4-methylphenyl)methyl]pyrazole-4-carboxylic acid
CID 158294833
N'-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-N-ethyloxamide
CID 139341058
3,5-dimethyl-4-(methylaminomethyl)aniline;1H-pyrazole-4-carboxylic acid
CID 174936436
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzylpyrrole-3-carboxamide
CID 56836928
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-phenoxy-1,3-oxazole-4-carboxamide
CID 58081339
dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;3-chloro-6-ethylquinoline;ethyl 1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydride;oxido formate
CID 163697748
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(3-fluorobenzoyl)-9,10-dihydroanthracene-2-carboxamide
CID 145206929
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2-oxazole-5-carboxamide
CID 56836124
N-(2-amino-3-ethylpentyl)-1H-pyrazole-4-carboxamide
CID 106285778
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 79523487
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxamide
CID 118665436

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide (CID 142714628) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cn[nH]c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is AZCCNWZHDAZNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-7-3-11(13)17-8(2)10(7)6-14-12(18)9-4-15-16-5-9/h3-5H,6H2,1-2H3,(H2,13,17)(H,14,18)(H,15,16).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 142714628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).