N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide

C21H21N3O2 — CID 71896675

IUPACN-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide
SMILESO=C(NCc1cccnc1OC1CCCC1)c1cccc2ncccc12
InChIInChI=1S/C21H21N3O2/c25-20(18-9-3-11-19-17(18)10-5-12-22-19)24-14-15-6-4-13-23-21(15)26-16-7-1-2-8-16/h3-6,9-13,16H,1-2,7-8,14H2,(H,24,25)
InChIKeyHNOQQECYDVWAHM-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.88
Rot. Bonds5

About N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide (PubChem CID 71896675) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide
PubChem CID71896675
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide
SMILESO=C(NCc1cccnc1OC1CCCC1)c1cccc2ncccc12
InChIInChI=1S/C21H21N3O2/c25-20(18-9-3-11-19-17(18)10-5-12-22-19)24-14-15-6-4-13-23-21(15)26-16-7-1-2-8-16/h3-6,9-13,16H,1-2,7-8,14H2,(H,24,25)
InChIKeyHNOQQECYDVWAHM-UHFFFAOYSA-N
XLogP3.88
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide?
The IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide (CID 71896675) is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide?
The canonical SMILES for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide is O=C(NCc1cccnc1OC1CCCC1)c1cccc2ncccc12.
What is the InChIKey of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide?
The InChIKey is HNOQQECYDVWAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-20(18-9-3-11-19-17(18)10-5-12-22-19)24-14-15-6-4-13-23-21(15)26-16-7-1-2-8-16/h3-6,9-13,16H,1-2,7-8,14H2,(H,24,25).
What are the key properties of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide?
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide is sourced from PubChem (CID 71896675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).