N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]-6-(propan-2-ylamino)pyridine-3-carboxamide

C26H29N7O2 — CID 70907738

IUPACN-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]-6-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1ccc(C(=O)Nc2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)nn2C)cn1
InChIInChI=1S/C26H29N7O2/c1-17(2)29-23-9-8-21(16-28-23)25(34)30-24-14-22(31-32(24)3)26(35)33-12-10-20(11-13-33)19-6-4-18(15-27)5-7-19/h4-9,14,16-17,20H,10-13H2,1-3H3,(H,28,29)(H,30,34)
InChIKeyPTNLKWQLBKMAGA-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.78
Rot. Bonds6

About N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]-6-(propan-2-ylamino)pyridine-3-carboxamide

N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]-6-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 70907738) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]-6-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]-6-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID70907738
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC NameN-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]-6-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1ccc(C(=O)Nc2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)nn2C)cn1
InChIInChI=1S/C26H29N7O2/c1-17(2)29-23-9-8-21(16-28-23)25(34)30-24-14-22(31-32(24)3)26(35)33-12-10-20(11-13-33)19-6-4-18(15-27)5-7-19/h4-9,14,16-17,20H,10-13H2,1-3H3,(H,28,29)(H,30,34)
InChIKeyPTNLKWQLBKMAGA-UHFFFAOYSA-N
XLogP3.78
TPSA115.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-[4-methyl-3-[6-(propan-2-ylamino)-3-pyridinyl]benzoyl]azepan-4-yl]benzonitrile
CID 176574181
N-butan-2-yl-6-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylanilino]pyridine-3-carboxamide
CID 126514803
N-[2-(cyclopropylamino)-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 118144241
5-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-2,5-dicarboxamide
CID 69165329
N-[5-[7-(4-cyanophenyl)-1,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 129101809
N-[2-methyl-5-[4-[4-(2-methylphenyl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 118146742
N-[5-[4-(4-cyanophenyl)azepane-1-carbonyl]-2-methylphenyl]-6-(2-methylpropyl)pyridine-3-carboxamide
CID 148998504
N-[5-[4-[4-(furan-3-yl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 118144237
4-[1-[3-(propan-2-ylamino)pyridazine-4-carbonyl]piperidin-4-yl]benzonitrile
CID 174712624
N-[2-methyl-5-[4-(4-thiophen-2-ylphenyl)piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 118645983
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide
CID 69166223
N-[5-[4-(2,3-dimethyl-1-oxo-3H-isoindol-5-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 118144210

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]-6-(propan-2-ylamino)pyridine-3-carboxamide (CID 70907738) is N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]-6-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]-6-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1ccc(C(=O)Nc2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)nn2C)cn1.
What is the InChIKey of N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is PTNLKWQLBKMAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-17(2)29-23-9-8-21(16-28-23)25(34)30-24-14-22(31-32(24)3)26(35)33-12-10-20(11-13-33)19-6-4-18(15-27)5-7-19/h4-9,14,16-17,20H,10-13H2,1-3H3,(H,28,29)(H,30,34).
What are the key properties of N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]-6-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 471.57 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]-6-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 70907738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).