2-(1H-indazol-6-ylamino)-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

C21H26N6O — CID 508482

IUPAC2-(1H-indazol-6-ylamino)-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCN2CCCCC2)c(Nc2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C21H26N6O/c1-15-5-8-18(21(28)22-9-12-27-10-3-2-4-11-27)20(24-15)25-17-7-6-16-14-23-26-19(16)13-17/h5-8,13-14H,2-4,9-12H2,1H3,(H,22,28)(H,23,26)(H,24,25)
InChIKeySJGHTOHSKFKZSU-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.23
Rot. Bonds6

About 2-(1H-indazol-6-ylamino)-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

2-(1H-indazol-6-ylamino)-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 508482) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-(1H-indazol-6-ylamino)-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1H-indazol-6-ylamino)-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID508482
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name2-(1H-indazol-6-ylamino)-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCN2CCCCC2)c(Nc2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C21H26N6O/c1-15-5-8-18(21(28)22-9-12-27-10-3-2-4-11-27)20(24-15)25-17-7-6-16-14-23-26-19(16)13-17/h5-8,13-14H,2-4,9-12H2,1H3,(H,22,28)(H,23,26)(H,24,25)
InChIKeySJGHTOHSKFKZSU-UHFFFAOYSA-N
XLogP3.23
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1H-indazol-5-ylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 10180860
N-(2-hydroxyethyl)-4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide
CID 505746
4-(1H-indazol-5-ylamino)-2-methylsulfanyl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 505757
[4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 505770
N-(1H-indazol-6-yl)-2-piperidin-1-ylacetamide
CID 4205198
4-(3,4-dimethoxyanilino)-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide
CID 42882386
2-N-(1H-indazol-6-yl)-8-methyl-7-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,7-diamine
CID 59615374
N-[4-tert-butyl-3-[(E)-4-pyrrolidin-1-ylbut-1-enyl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
CID 10142191
N-(1H-indazol-6-ylmethyl)-2-piperidin-1-ylethanamine
CID 112688761
2-(1H-indazol-6-ylamino)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen
CID 162164797
5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide
CID 61241531
1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 125144865

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-6-ylamino)-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(1H-indazol-6-ylamino)-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (CID 508482) is 2-(1H-indazol-6-ylamino)-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(1H-indazol-6-ylamino)-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(1H-indazol-6-ylamino)-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is Cc1ccc(C(=O)NCCN2CCCCC2)c(Nc2ccc3cn[nH]c3c2)n1.
What is the InChIKey of 2-(1H-indazol-6-ylamino)-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is SJGHTOHSKFKZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-15-5-8-18(21(28)22-9-12-27-10-3-2-4-11-27)20(24-15)25-17-7-6-16-14-23-26-19(16)13-17/h5-8,13-14H,2-4,9-12H2,1H3,(H,22,28)(H,23,26)(H,24,25).
What are the key properties of 2-(1H-indazol-6-ylamino)-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
2-(1H-indazol-6-ylamino)-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-6-ylamino)-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 508482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).