N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide

C18H20N6O — CID 70233600

IUPACN-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(CNc3cccnc3N)c2)n(C)n1
InChIInChI=1S/C18H20N6O/c1-12-9-16(24(2)23-12)18(25)22-14-6-3-5-13(10-14)11-21-15-7-4-8-20-17(15)19/h3-10,21H,11H2,1-2H3,(H2,19,20)(H,22,25)
InChIKeySUKLMFGBVRWSBQ-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.57
Rot. Bonds5

About N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide

N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 70233600) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID70233600
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(CNc3cccnc3N)c2)n(C)n1
InChIInChI=1S/C18H20N6O/c1-12-9-16(24(2)23-12)18(25)22-14-6-3-5-13(10-14)11-21-15-7-4-8-20-17(15)19/h3-10,21H,11H2,1-2H3,(H2,19,20)(H,22,25)
InChIKeySUKLMFGBVRWSBQ-UHFFFAOYSA-N
XLogP2.57
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 70234459
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-cyano-1-methylpyrazole-3-carboxamide
CID 70233896
N-[3-(chloromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 114293272
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-bromothiophene-2-carboxamide
CID 70234206
N-[3-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]phenyl]butanamide;N-[3-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]phenyl]propanamide
CID 159199604
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]formamide
CID 143980472
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-(1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 70234437
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-[4-(methylamino)but-2-ynoxy]pyrazine-2-carboxamide
CID 70233726
N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61059268
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 58448614
N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 19481236
2,5-dimethyl-N-[3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methyl]phenyl]pyrazole-3-carboxamide
CID 91407920

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide (CID 70233600) is N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(CNc3cccnc3N)c2)n(C)n1.
What is the InChIKey of N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is SUKLMFGBVRWSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-9-16(24(2)23-12)18(25)22-14-6-3-5-13(10-14)11-21-15-7-4-8-20-17(15)19/h3-10,21H,11H2,1-2H3,(H2,19,20)(H,22,25).
What are the key properties of N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 70233600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).