N-ethyl-N-[(3-methoxycyclopentyl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)propanamide

C20H29N3O3 — CID 144525801

IUPACN-ethyl-N-[(3-methoxycyclopentyl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)propanamide
SMILESCCN(CC1CCC(OC)C1)C(=O)CCc1cnc2c(c1)CCC(=O)N2
InChIInChI=1S/C20H29N3O3/c1-3-23(13-15-4-7-17(11-15)26-2)19(25)9-5-14-10-16-6-8-18(24)22-20(16)21-12-14/h10,12,15,17H,3-9,11,13H2,1-2H3,(H,21,22,24)
InChIKeyDRHOADZQECTBNR-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.56
Rot. Bonds7

About N-ethyl-N-[(3-methoxycyclopentyl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)propanamide

N-ethyl-N-[(3-methoxycyclopentyl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)propanamide (PubChem CID 144525801) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-ethyl-N-[(3-methoxycyclopentyl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-methoxycyclopentyl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)propanamide
PubChem CID144525801
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-ethyl-N-[(3-methoxycyclopentyl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)propanamide
SMILESCCN(CC1CCC(OC)C1)C(=O)CCc1cnc2c(c1)CCC(=O)N2
InChIInChI=1S/C20H29N3O3/c1-3-23(13-15-4-7-17(11-15)26-2)19(25)9-5-14-10-16-6-8-18(24)22-20(16)21-12-14/h10,12,15,17H,3-9,11,13H2,1-2H3,(H,21,22,24)
InChIKeyDRHOADZQECTBNR-UHFFFAOYSA-N
XLogP2.56
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-methoxycyclopentyl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)propanamide?
The IUPAC name of N-ethyl-N-[(3-methoxycyclopentyl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)propanamide (CID 144525801) is N-ethyl-N-[(3-methoxycyclopentyl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)propanamide.
What is the SMILES notation for N-ethyl-N-[(3-methoxycyclopentyl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)propanamide?
The canonical SMILES for N-ethyl-N-[(3-methoxycyclopentyl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)propanamide is CCN(CC1CCC(OC)C1)C(=O)CCc1cnc2c(c1)CCC(=O)N2.
What is the InChIKey of N-ethyl-N-[(3-methoxycyclopentyl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)propanamide?
The InChIKey is DRHOADZQECTBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-3-23(13-15-4-7-17(11-15)26-2)19(25)9-5-14-10-16-6-8-18(24)22-20(16)21-12-14/h10,12,15,17H,3-9,11,13H2,1-2H3,(H,21,22,24).
What are the key properties of N-ethyl-N-[(3-methoxycyclopentyl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)propanamide?
N-ethyl-N-[(3-methoxycyclopentyl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)propanamide has a molecular weight of 359.47 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-methoxycyclopentyl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)propanamide is sourced from PubChem (CID 144525801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).