N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]cyclopentanecarboxamide

C25H23N5O — CID 129315491

IUPACN-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]cyclopentanecarboxamide
SMILESO=C(Nc1cncc(-c2ccnc(-c3ncc(-c4ccccc4)[nH]3)c2)c1)C1CCCC1
InChIInChI=1S/C25H23N5O/c31-25(18-8-4-5-9-18)29-21-12-20(14-26-15-21)19-10-11-27-22(13-19)24-28-16-23(30-24)17-6-2-1-3-7-17/h1-3,6-7,10-16,18H,4-5,8-9H2,(H,28,30)(H,29,31)
InChIKeyIRUBCVPRZUFBLF-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.33
Rot. Bonds5

About N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]cyclopentanecarboxamide

N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]cyclopentanecarboxamide (PubChem CID 129315491) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]cyclopentanecarboxamide
PubChem CID129315491
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC NameN-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]cyclopentanecarboxamide
SMILESO=C(Nc1cncc(-c2ccnc(-c3ncc(-c4ccccc4)[nH]3)c2)c1)C1CCCC1
InChIInChI=1S/C25H23N5O/c31-25(18-8-4-5-9-18)29-21-12-20(14-26-15-21)19-10-11-27-22(13-19)24-28-16-23(30-24)17-6-2-1-3-7-17/h1-3,6-7,10-16,18H,4-5,8-9H2,(H,28,30)(H,29,31)
InChIKeyIRUBCVPRZUFBLF-UHFFFAOYSA-N
XLogP5.33
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]cyclopentanecarboxamide?
The IUPAC name of N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]cyclopentanecarboxamide (CID 129315491) is N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]cyclopentanecarboxamide is O=C(Nc1cncc(-c2ccnc(-c3ncc(-c4ccccc4)[nH]3)c2)c1)C1CCCC1.
What is the InChIKey of N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]cyclopentanecarboxamide?
The InChIKey is IRUBCVPRZUFBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c31-25(18-8-4-5-9-18)29-21-12-20(14-26-15-21)19-10-11-27-22(13-19)24-28-16-23(30-24)17-6-2-1-3-7-17/h1-3,6-7,10-16,18H,4-5,8-9H2,(H,28,30)(H,29,31).
What are the key properties of N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]cyclopentanecarboxamide?
N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]cyclopentanecarboxamide has a molecular weight of 409.49 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]cyclopentanecarboxamide is sourced from PubChem (CID 129315491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).