N-[2-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3H-indazol-5-yl]-6-methylpyridine-2-carboxamide

C22H28N4O2 — CID 172692801

IUPACN-[2-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3H-indazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)CN(C2CCC(CO)CC2)N3C)n1
InChIInChI=1S/C22H28N4O2/c1-15-4-3-5-20(23-15)22(28)24-18-8-11-21-17(12-18)13-26(25(21)2)19-9-6-16(14-27)7-10-19/h3-5,8,11-12,16,19,27H,6-7,9-10,13-14H2,1-2H3,(H,24,28)
InChIKeyBXILUBKPDWATGH-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.36
Rot. Bonds4

About N-[2-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3H-indazol-5-yl]-6-methylpyridine-2-carboxamide

N-[2-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3H-indazol-5-yl]-6-methylpyridine-2-carboxamide (PubChem CID 172692801) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[2-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3H-indazol-5-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3H-indazol-5-yl]-6-methylpyridine-2-carboxamide
PubChem CID172692801
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[2-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3H-indazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)CN(C2CCC(CO)CC2)N3C)n1
InChIInChI=1S/C22H28N4O2/c1-15-4-3-5-20(23-15)22(28)24-18-8-11-21-17(12-18)13-26(25(21)2)19-9-6-16(14-27)7-10-19/h3-5,8,11-12,16,19,27H,6-7,9-10,13-14H2,1-2H3,(H,24,28)
InChIKeyBXILUBKPDWATGH-UHFFFAOYSA-N
XLogP3.36
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155438138
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
N-[2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163399893
2-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride
CID 43108525
N-(4-aminophenyl)-6-methylpyridine-2-carboxamide
CID 16784436
N-(4-iodophenyl)-6-methylpyridine-2-carboxamide
CID 31777667
6-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 60581974
N-[2-[4-(hydroxymethyl)cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-methylpyridine-2-carboxamide
CID 170238978
6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 38697211
6-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-2-carboxamide
CID 32544873
6-methyl-N-(1'-methylspiro[chromene-2,4'-piperidine]-6-yl)pyridine-2-carboxamide
CID 25212191
N-(3-formylphenyl)-6-methylpyridine-2-carboxamide
CID 106912611

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3H-indazol-5-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3H-indazol-5-yl]-6-methylpyridine-2-carboxamide (CID 172692801) is N-[2-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3H-indazol-5-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3H-indazol-5-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3H-indazol-5-yl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)Nc2ccc3c(c2)CN(C2CCC(CO)CC2)N3C)n1.
What is the InChIKey of N-[2-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3H-indazol-5-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is BXILUBKPDWATGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-15-4-3-5-20(23-15)22(28)24-18-8-11-21-17(12-18)13-26(25(21)2)19-9-6-16(14-27)7-10-19/h3-5,8,11-12,16,19,27H,6-7,9-10,13-14H2,1-2H3,(H,24,28).
What are the key properties of N-[2-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3H-indazol-5-yl]-6-methylpyridine-2-carboxamide?
N-[2-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3H-indazol-5-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3H-indazol-5-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 172692801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).