N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide

C21H21N3O2 — CID 91763890

IUPACN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)NC(c1cnc2ccccc2c1)C1CC(O)C1
InChIInChI=1S/C21H21N3O2/c1-13-11-22-7-6-18(13)21(26)24-20(15-9-17(25)10-15)16-8-14-4-2-3-5-19(14)23-12-16/h2-8,11-12,15,17,20,25H,9-10H2,1H3,(H,24,26)
InChIKeyZKPMNDKOPPJUGU-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.18
Rot. Bonds4

About N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide

N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide (PubChem CID 91763890) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide
PubChem CID91763890
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)NC(c1cnc2ccccc2c1)C1CC(O)C1
InChIInChI=1S/C21H21N3O2/c1-13-11-22-7-6-18(13)21(26)24-20(15-9-17(25)10-15)16-8-14-4-2-3-5-19(14)23-12-16/h2-8,11-12,15,17,20,25H,9-10H2,1H3,(H,24,26)
InChIKeyZKPMNDKOPPJUGU-UHFFFAOYSA-N
XLogP3.18
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide (CID 91763890) is N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide is Cc1cnccc1C(=O)NC(c1cnc2ccccc2c1)C1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide?
The InChIKey is ZKPMNDKOPPJUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13-11-22-7-6-18(13)21(26)24-20(15-9-17(25)10-15)16-8-14-4-2-3-5-19(14)23-12-16/h2-8,11-12,15,17,20,25H,9-10H2,1H3,(H,24,26).
What are the key properties of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide?
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 91763890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).