N-[3-(1-methylbenzimidazol-2-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide

C20H24N6O — CID 134126384

IUPACN-[3-(1-methylbenzimidazol-2-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
SMILESCn1c(CCCNC(=O)C2CC(c3ccccn3)NN2)nc2ccccc21
InChIInChI=1S/C20H24N6O/c1-26-18-9-3-2-8-15(18)23-19(26)10-6-12-22-20(27)17-13-16(24-25-17)14-7-4-5-11-21-14/h2-5,7-9,11,16-17,24-25H,6,10,12-13H2,1H3,(H,22,27)
InChIKeyMPMGZJZHIFJEHA-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.62
Rot. Bonds6

About N-[3-(1-methylbenzimidazol-2-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide

N-[3-(1-methylbenzimidazol-2-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide (PubChem CID 134126384) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[3-(1-methylbenzimidazol-2-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methylbenzimidazol-2-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
PubChem CID134126384
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-[3-(1-methylbenzimidazol-2-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
SMILESCn1c(CCCNC(=O)C2CC(c3ccccn3)NN2)nc2ccccc21
InChIInChI=1S/C20H24N6O/c1-26-18-9-3-2-8-15(18)23-19(26)10-6-12-22-20(27)17-13-16(24-25-17)14-7-4-5-11-21-14/h2-5,7-9,11,16-17,24-25H,6,10,12-13H2,1H3,(H,22,27)
InChIKeyMPMGZJZHIFJEHA-UHFFFAOYSA-N
XLogP1.62
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,4S)-4-hydroxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-2-carboxamide
CID 124697255
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 75261568
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119889963
N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110741853
5-cyclopropyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,3-oxazole-4-carboxamide
CID 118767443
N-[3-(1-methylbenzimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 56792618
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 71983544
3-amino-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide
CID 91769490
N-cyclopentyl-2-[3-(1-methylbenzimidazol-2-yl)propylamino]propanamide
CID 50951475
N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide
CID 56792616
3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 83962036

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylbenzimidazol-2-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-[3-(1-methylbenzimidazol-2-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide (CID 134126384) is N-[3-(1-methylbenzimidazol-2-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[3-(1-methylbenzimidazol-2-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[3-(1-methylbenzimidazol-2-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide is Cn1c(CCCNC(=O)C2CC(c3ccccn3)NN2)nc2ccccc21.
What is the InChIKey of N-[3-(1-methylbenzimidazol-2-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The InChIKey is MPMGZJZHIFJEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-26-18-9-3-2-8-15(18)23-19(26)10-6-12-22-20(27)17-13-16(24-25-17)14-7-4-5-11-21-14/h2-5,7-9,11,16-17,24-25H,6,10,12-13H2,1H3,(H,22,27).
What are the key properties of N-[3-(1-methylbenzimidazol-2-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide?
N-[3-(1-methylbenzimidazol-2-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylbenzimidazol-2-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 134126384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).