N-[1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]pyridine-3-carboxamide

C18H19N5O — CID 90045404

IUPACN-[1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2n1CC1CCCN1)c1cccnc1
InChIInChI=1S/C18H19N5O/c24-17(13-5-3-9-19-11-13)22-18-21-15-7-1-2-8-16(15)23(18)12-14-6-4-10-20-14/h1-3,5,7-9,11,14,20H,4,6,10,12H2,(H,21,22,24)
InChIKeyNNFTVKCIMDQALS-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.44
Rot. Bonds4

About N-[1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]pyridine-3-carboxamide

N-[1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]pyridine-3-carboxamide (PubChem CID 90045404) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]pyridine-3-carboxamide
PubChem CID90045404
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2n1CC1CCCN1)c1cccnc1
InChIInChI=1S/C18H19N5O/c24-17(13-5-3-9-19-11-13)22-18-21-15-7-1-2-8-16(15)23(18)12-14-6-4-10-20-14/h1-3,5,7-9,11,14,20H,4,6,10,12H2,(H,21,22,24)
InChIKeyNNFTVKCIMDQALS-UHFFFAOYSA-N
XLogP2.44
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]pyridine-3-carboxamide (CID 90045404) is N-[1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]pyridine-3-carboxamide is O=C(Nc1nc2ccccc2n1CC1CCCN1)c1cccnc1.
What is the InChIKey of N-[1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]pyridine-3-carboxamide?
The InChIKey is NNFTVKCIMDQALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-17(13-5-3-9-19-11-13)22-18-21-15-7-1-2-8-16(15)23(18)12-14-6-4-10-20-14/h1-3,5,7-9,11,14,20H,4,6,10,12H2,(H,21,22,24).
What are the key properties of N-[1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]pyridine-3-carboxamide?
N-[1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]pyridine-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 90045404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).