N-[2-[(1-pyridin-2-ylpyrrolidin-3-yl)carbamoylamino]ethyl]-1H-pyrazole-5-carboxamide

C16H21N7O2 — CID 166205676

IUPACN-[2-[(1-pyridin-2-ylpyrrolidin-3-yl)carbamoylamino]ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCNC(=O)c1ccn[nH]1)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C16H21N7O2/c24-15(13-4-7-20-22-13)18-8-9-19-16(25)21-12-5-10-23(11-12)14-3-1-2-6-17-14/h1-4,6-7,12H,5,8-11H2,(H,18,24)(H,20,22)(H2,19,21,25)
InChIKeyVNLZIWLGKLCBIX-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.11
Rot. Bonds6

About N-[2-[(1-pyridin-2-ylpyrrolidin-3-yl)carbamoylamino]ethyl]-1H-pyrazole-5-carboxamide

N-[2-[(1-pyridin-2-ylpyrrolidin-3-yl)carbamoylamino]ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 166205676) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[2-[(1-pyridin-2-ylpyrrolidin-3-yl)carbamoylamino]ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-pyridin-2-ylpyrrolidin-3-yl)carbamoylamino]ethyl]-1H-pyrazole-5-carboxamide
PubChem CID166205676
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC NameN-[2-[(1-pyridin-2-ylpyrrolidin-3-yl)carbamoylamino]ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCNC(=O)c1ccn[nH]1)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C16H21N7O2/c24-15(13-4-7-20-22-13)18-8-9-19-16(25)21-12-5-10-23(11-12)14-3-1-2-6-17-14/h1-4,6-7,12H,5,8-11H2,(H,18,24)(H,20,22)(H2,19,21,25)
InChIKeyVNLZIWLGKLCBIX-UHFFFAOYSA-N
XLogP0.11
TPSA115.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621427
1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 166181043
1-(3-methylsulfanylpropyl)-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97240988
2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
CID 69019671
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074
2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99696788
1-(3-hydroxybutyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 111337198
1-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 124612268
5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide
CID 99697078
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-3-carboxamide
CID 99697234
3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide
CID 90621378

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-pyridin-2-ylpyrrolidin-3-yl)carbamoylamino]ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-[(1-pyridin-2-ylpyrrolidin-3-yl)carbamoylamino]ethyl]-1H-pyrazole-5-carboxamide (CID 166205676) is N-[2-[(1-pyridin-2-ylpyrrolidin-3-yl)carbamoylamino]ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[(1-pyridin-2-ylpyrrolidin-3-yl)carbamoylamino]ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[(1-pyridin-2-ylpyrrolidin-3-yl)carbamoylamino]ethyl]-1H-pyrazole-5-carboxamide is O=C(NCCNC(=O)c1ccn[nH]1)NC1CCN(c2ccccn2)C1.
What is the InChIKey of N-[2-[(1-pyridin-2-ylpyrrolidin-3-yl)carbamoylamino]ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is VNLZIWLGKLCBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O2/c24-15(13-4-7-20-22-13)18-8-9-19-16(25)21-12-5-10-23(11-12)14-3-1-2-6-17-14/h1-4,6-7,12H,5,8-11H2,(H,18,24)(H,20,22)(H2,19,21,25).
What are the key properties of N-[2-[(1-pyridin-2-ylpyrrolidin-3-yl)carbamoylamino]ethyl]-1H-pyrazole-5-carboxamide?
N-[2-[(1-pyridin-2-ylpyrrolidin-3-yl)carbamoylamino]ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 0.11, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-pyridin-2-ylpyrrolidin-3-yl)carbamoylamino]ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 166205676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).