N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid

C21H30N6O6 — CID 155879891

IUPACN,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid
SMILESCN(C)C(=O)C1(Nc2ccnn2C)CCN(C(=O)Cc2ccccn2)CC1.O=CO.O=CO
InChIInChI=1S/C19H26N6O2.2CH2O2/c1-23(2)18(27)19(22-16-7-11-21-24(16)3)8-12-25(13-9-19)17(26)14-15-6-4-5-10-20-15;2*2-1-3/h4-7,10-11,22H,8-9,12-14H2,1-3H3;2*1H,(H,2,3)
InChIKeyOEMJACQHEDXHDG-UHFFFAOYSA-N
MW462.51 g/mol
LogP0.32
Rot. Bonds5

About N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid

N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid (PubChem CID 155879891) has the molecular formula C21H30N6O6 and a molecular weight of 462.51 g/mol. Its IUPAC name is N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid.

Molecular Properties

Compound NameN,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid
PubChem CID155879891
Molecular FormulaC21H30N6O6
Molecular Weight462.51 g/mol
Exact Mass462.22
IUPAC NameN,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid
SMILESCN(C)C(=O)C1(Nc2ccnn2C)CCN(C(=O)Cc2ccccn2)CC1.O=CO.O=CO
InChIInChI=1S/C19H26N6O2.2CH2O2/c1-23(2)18(27)19(22-16-7-11-21-24(16)3)8-12-25(13-9-19)17(26)14-15-6-4-5-10-20-15;2*2-1-3/h4-7,10-11,22H,8-9,12-14H2,1-3H3;2*1H,(H,2,3)
InChIKeyOEMJACQHEDXHDG-UHFFFAOYSA-N
XLogP0.32
TPSA157.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-4-pyrazol-1-yl-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid
CID 155876835
1-[2-(cyclohexen-1-yl)acetyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155879702
1-[2-(dimethylamino)acetyl]-N-methyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155879253
N,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 155982870
1-[(3-chlorophenyl)methyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155879157
4-anilino-N,N-dimethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-4-carboxamide
CID 155874172
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 115276738
1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid
CID 155824350
[4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate
CID 15055617
8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62848964
N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
CID 110232469
4-anilino-N,N-dimethyl-1-[2-(triazol-1-yl)acetyl]piperidine-4-carboxamide
CID 155874156

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid?
The IUPAC name of N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid (CID 155879891) is N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid.
What is the SMILES notation for N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid?
The canonical SMILES for N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid is CN(C)C(=O)C1(Nc2ccnn2C)CCN(C(=O)Cc2ccccn2)CC1.O=CO.O=CO.
What is the InChIKey of N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid?
The InChIKey is OEMJACQHEDXHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2.2CH2O2/c1-23(2)18(27)19(22-16-7-11-21-24(16)3)8-12-25(13-9-19)17(26)14-15-6-4-5-10-20-15;2*2-1-3/h4-7,10-11,22H,8-9,12-14H2,1-3H3;2*1H,(H,2,3).
What are the key properties of N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid?
N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid has a molecular weight of 462.51 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid is sourced from PubChem (CID 155879891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).