N-(3,4-dimethoxyphenyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide

C23H25N5O4 — CID 53087666

IUPACN-(3,4-dimethoxyphenyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(C(=O)c3cc(-c4cccnc4)n[nH]3)C2)cc1OC
InChIInChI=1S/C23H25N5O4/c1-31-20-8-7-17(11-21(20)32-2)25-22(29)16-6-4-10-28(14-16)23(30)19-12-18(26-27-19)15-5-3-9-24-13-15/h3,5,7-9,11-13,16H,4,6,10,14H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyBUTLQLONKKVDEJ-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.98
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide

N-(3,4-dimethoxyphenyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (PubChem CID 53087666) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
PubChem CID53087666
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC NameN-(3,4-dimethoxyphenyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(C(=O)c3cc(-c4cccnc4)n[nH]3)C2)cc1OC
InChIInChI=1S/C23H25N5O4/c1-31-20-8-7-17(11-21(20)32-2)25-22(29)16-6-4-10-28(14-16)23(30)19-12-18(26-27-19)15-5-3-9-24-13-15/h3,5,7-9,11-13,16H,4,6,10,14H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyBUTLQLONKKVDEJ-UHFFFAOYSA-N
XLogP2.98
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(3,4-dimethoxyphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 97044608
N-[(2-methoxyphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 53087698
(3R)-N-cyclopropyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 93069495
(3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 93069459
(3S)-N-[(4-fluorophenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 93069498
N-(4-ethylphenyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087608
N-[4-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 55791693
[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492307
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 53008268
(3S)-N-[(4-methoxyphenyl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 97044631
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3R)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone
CID 93069490
(3R)-N-cycloheptyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 94080403

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (CID 53087666) is N-(3,4-dimethoxyphenyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(C(=O)c3cc(-c4cccnc4)n[nH]3)C2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The InChIKey is BUTLQLONKKVDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-31-20-8-7-17(11-21(20)32-2)25-22(29)16-6-4-10-28(14-16)23(30)19-12-18(26-27-19)15-5-3-9-24-13-15/h3,5,7-9,11-13,16H,4,6,10,14H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 53087666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).