3-[cyclopropyl(2H-indazol-3-ylmethylcarbamoyl)amino]-N-methylpiperidine-1-carboxamide

C19H26N6O2 — CID 176708224

IUPAC3-[cyclopropyl(2H-indazol-3-ylmethylcarbamoyl)amino]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCCC(N(C(=O)NCc2[nH]nc3ccccc23)C2CC2)C1
InChIInChI=1S/C19H26N6O2/c1-20-18(26)24-10-4-5-14(12-24)25(13-8-9-13)19(27)21-11-17-15-6-2-3-7-16(15)22-23-17/h2-3,6-7,13-14H,4-5,8-12H2,1H3,(H,20,26)(H,21,27)(H,22,23)
InChIKeyDAKDBYPWAUEKAN-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.04
Rot. Bonds4

About 3-[cyclopropyl(2H-indazol-3-ylmethylcarbamoyl)amino]-N-methylpiperidine-1-carboxamide

3-[cyclopropyl(2H-indazol-3-ylmethylcarbamoyl)amino]-N-methylpiperidine-1-carboxamide (PubChem CID 176708224) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-[cyclopropyl(2H-indazol-3-ylmethylcarbamoyl)amino]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[cyclopropyl(2H-indazol-3-ylmethylcarbamoyl)amino]-N-methylpiperidine-1-carboxamide
PubChem CID176708224
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name3-[cyclopropyl(2H-indazol-3-ylmethylcarbamoyl)amino]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCCC(N(C(=O)NCc2[nH]nc3ccccc23)C2CC2)C1
InChIInChI=1S/C19H26N6O2/c1-20-18(26)24-10-4-5-14(12-24)25(13-8-9-13)19(27)21-11-17-15-6-2-3-7-16(15)22-23-17/h2-3,6-7,13-14H,4-5,8-12H2,1H3,(H,20,26)(H,21,27)(H,22,23)
InChIKeyDAKDBYPWAUEKAN-UHFFFAOYSA-N
XLogP2.04
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-cyanonaphthalen-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide
CID 176713128
3-[(4-chloro-2-fluoro-5-methylphenyl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide
CID 165119686
(3R)-3-[(5-chloro-6-fluoro-1H-indol-2-yl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide
CID 176708435
(3R)-3-[(5-bromo-3-fluoro-1H-indol-2-yl)methylcarbamoyl-cyclopropylamino]piperidine-1-carboxamide
CID 176708355
3-[cyclopropyl-[(6,8-difluoronaphthalen-2-yl)methylcarbamoyl]amino]-N-methylpiperidine-1-carboxamide;3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-5-(hydroxymethyl)-N-methylpiperidine-1-carboxamide
CID 176713112
3-(2H-indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 166259361
methyl (3R)-3-[(5-chloro-1,2-benzoxazol-3-yl)methylcarbamoyl-cyclopropylamino]piperidine-1-carboxylate
CID 176708245
1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 95737187
6-[[[cyclopropyl-[(3R)-1-(methylcarbamoyl)piperidin-3-yl]carbamoyl]amino]methyl]-N-[2-[(7-fluoronaphthalen-2-yl)methylcarbamoyl-[(3R)-1-(methylcarbamoyl)piperidin-3-yl]amino]cyclopropyl]naphthalene-2-carbonitrilium
CID 176713139
3-[cyclopropyl-[(7-methylnaphthalen-2-yl)methylcarbamoyl]amino]-N,5-dimethylpiperidine-1-carboxamide
CID 176713165
(3R)-3-[(4-chloro-5-ethyl-2-fluorophenyl)methylcarbamoyl-cyclopropylamino]-N-methoxypiperidine-1-carboxamide
CID 165119771
1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 52528825

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2H-indazol-3-ylmethylcarbamoyl)amino]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 3-[cyclopropyl(2H-indazol-3-ylmethylcarbamoyl)amino]-N-methylpiperidine-1-carboxamide (CID 176708224) is 3-[cyclopropyl(2H-indazol-3-ylmethylcarbamoyl)amino]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[cyclopropyl(2H-indazol-3-ylmethylcarbamoyl)amino]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 3-[cyclopropyl(2H-indazol-3-ylmethylcarbamoyl)amino]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCCC(N(C(=O)NCc2[nH]nc3ccccc23)C2CC2)C1.
What is the InChIKey of 3-[cyclopropyl(2H-indazol-3-ylmethylcarbamoyl)amino]-N-methylpiperidine-1-carboxamide?
The InChIKey is DAKDBYPWAUEKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-20-18(26)24-10-4-5-14(12-24)25(13-8-9-13)19(27)21-11-17-15-6-2-3-7-16(15)22-23-17/h2-3,6-7,13-14H,4-5,8-12H2,1H3,(H,20,26)(H,21,27)(H,22,23).
What are the key properties of 3-[cyclopropyl(2H-indazol-3-ylmethylcarbamoyl)amino]-N-methylpiperidine-1-carboxamide?
3-[cyclopropyl(2H-indazol-3-ylmethylcarbamoyl)amino]-N-methylpiperidine-1-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2H-indazol-3-ylmethylcarbamoyl)amino]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 176708224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).