2-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide

C17H17ClN6O — CID 90842896

IUPAC2-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide
SMILESCn1cc(Nc2cc(NCc3ccccc3C(N)=O)c(Cl)cn2)cn1
InChIInChI=1S/C17H17ClN6O/c1-24-10-12(8-22-24)23-16-6-15(14(18)9-21-16)20-7-11-4-2-3-5-13(11)17(19)25/h2-6,8-10H,7H2,1H3,(H2,19,25)(H2,20,21,23)
InChIKeyUAAKXBACVGCFDO-UHFFFAOYSA-N
MW356.82 g/mol
LogP2.92
Rot. Bonds6

About 2-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide

2-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide (PubChem CID 90842896) has the molecular formula C17H17ClN6O and a molecular weight of 356.82 g/mol. Its IUPAC name is 2-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide.

Molecular Properties

Compound Name2-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide
PubChem CID90842896
Molecular FormulaC17H17ClN6O
Molecular Weight356.82 g/mol
Exact Mass356.12
IUPAC Name2-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide
SMILESCn1cc(Nc2cc(NCc3ccccc3C(N)=O)c(Cl)cn2)cn1
InChIInChI=1S/C17H17ClN6O/c1-24-10-12(8-22-24)23-16-6-15(14(18)9-21-16)20-7-11-4-2-3-5-13(11)17(19)25/h2-6,8-10H,7H2,1H3,(H2,19,25)(H2,20,21,23)
InChIKeyUAAKXBACVGCFDO-UHFFFAOYSA-N
XLogP2.92
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide
CID 91000279
2-[[[5-cyano-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide
CID 91496649
2-[[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]methyl]benzamide
CID 69090152
5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid
CID 114919233
4-hydroxy-2-[(1-methylpyrazol-4-yl)amino]benzamide
CID 164587081
2-[(2,3-dichloroanilino)methyl]benzamide
CID 28774931
4-chloro-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43679399
2-[2-[2-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide
CID 73297207
4-[[4-(aminomethyl)cyclohexyl]methylamino]-6-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 11951250
2-amino-5-[(1-methylpyrazol-4-yl)amino]benzamide
CID 61305903
2-[(4-chloroanilino)methyl]benzamide
CID 28580780
N-(2-ethylphenyl)-1-methylpyrazol-4-amine
CID 125450471

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide?
The IUPAC name of 2-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide (CID 90842896) is 2-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide.
What is the SMILES notation for 2-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide?
The canonical SMILES for 2-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide is Cn1cc(Nc2cc(NCc3ccccc3C(N)=O)c(Cl)cn2)cn1.
What is the InChIKey of 2-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide?
The InChIKey is UAAKXBACVGCFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O/c1-24-10-12(8-22-24)23-16-6-15(14(18)9-21-16)20-7-11-4-2-3-5-13(11)17(19)25/h2-6,8-10H,7H2,1H3,(H2,19,25)(H2,20,21,23).
What are the key properties of 2-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide?
2-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide has a molecular weight of 356.82 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide is sourced from PubChem (CID 90842896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).