1-ethyl-3-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one

C23H29N5O2 — CID 90493323

IUPAC1-ethyl-3-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one
SMILESCCc1nccn1CC1CCN(C(=O)c2cn(CC)c3nc(C)ccc3c2=O)CC1
InChIInChI=1S/C23H29N5O2/c1-4-20-24-10-13-28(20)14-17-8-11-27(12-9-17)23(30)19-15-26(5-2)22-18(21(19)29)7-6-16(3)25-22/h6-7,10,13,15,17H,4-5,8-9,11-12,14H2,1-3H3
InChIKeyNFFFZXRBVSLAPH-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.04
Rot. Bonds5

About 1-ethyl-3-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one

1-ethyl-3-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one (PubChem CID 90493323) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-ethyl-3-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-ethyl-3-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one
PubChem CID90493323
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name1-ethyl-3-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one
SMILESCCc1nccn1CC1CCN(C(=O)c2cn(CC)c3nc(C)ccc3c2=O)CC1
InChIInChI=1S/C23H29N5O2/c1-4-20-24-10-13-28(20)14-17-8-11-27(12-9-17)23(30)19-15-26(5-2)22-18(21(19)29)7-6-16(3)25-22/h6-7,10,13,15,17H,4-5,8-9,11-12,14H2,1-3H3
InChIKeyNFFFZXRBVSLAPH-UHFFFAOYSA-N
XLogP3.04
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one?
The IUPAC name of 1-ethyl-3-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one (CID 90493323) is 1-ethyl-3-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-ethyl-3-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one?
The canonical SMILES for 1-ethyl-3-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one is CCc1nccn1CC1CCN(C(=O)c2cn(CC)c3nc(C)ccc3c2=O)CC1.
What is the InChIKey of 1-ethyl-3-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one?
The InChIKey is NFFFZXRBVSLAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-4-20-24-10-13-28(20)14-17-8-11-27(12-9-17)23(30)19-15-26(5-2)22-18(21(19)29)7-6-16(3)25-22/h6-7,10,13,15,17H,4-5,8-9,11-12,14H2,1-3H3.
What are the key properties of 1-ethyl-3-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one?
1-ethyl-3-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one has a molecular weight of 407.52 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 90493323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).