N-cyclopropyl-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluoropyridine-2-carboxamide

C24H27FN6O2 — CID 166088908

IUPACN-cyclopropyl-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluoropyridine-2-carboxamide
SMILESCCc1cc2ncc(CN3CCN(c4cnc(C(=O)NC5CC5)c(F)c4)CC3)cc2[nH]c1=O
InChIInChI=1S/C24H27FN6O2/c1-2-16-10-20-21(29-23(16)32)9-15(12-26-20)14-30-5-7-31(8-6-30)18-11-19(25)22(27-13-18)24(33)28-17-3-4-17/h9-13,17H,2-8,14H2,1H3,(H,28,33)(H,29,32)
InChIKeyQKYMNGZMFXZSPH-UHFFFAOYSA-N
MW450.52 g/mol
LogP2.23
Rot. Bonds6

About N-cyclopropyl-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluoropyridine-2-carboxamide

N-cyclopropyl-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluoropyridine-2-carboxamide (PubChem CID 166088908) has the molecular formula C24H27FN6O2 and a molecular weight of 450.52 g/mol. Its IUPAC name is N-cyclopropyl-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluoropyridine-2-carboxamide
PubChem CID166088908
Molecular FormulaC24H27FN6O2
Molecular Weight450.52 g/mol
Exact Mass450.22
IUPAC NameN-cyclopropyl-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluoropyridine-2-carboxamide
SMILESCCc1cc2ncc(CN3CCN(c4cnc(C(=O)NC5CC5)c(F)c4)CC3)cc2[nH]c1=O
InChIInChI=1S/C24H27FN6O2/c1-2-16-10-20-21(29-23(16)32)9-15(12-26-20)14-30-5-7-31(8-6-30)18-11-19(25)22(27-13-18)24(33)28-17-3-4-17/h9-13,17H,2-8,14H2,1H3,(H,28,33)(H,29,32)
InChIKeyQKYMNGZMFXZSPH-UHFFFAOYSA-N
XLogP2.23
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Lsn2463359
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Azd9574
CID 162524593
5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide
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methyl N-[(3R,4S,5S)-3-amino-1-[3-[[3-amino-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carbonyl]amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate
CID 91937649
(4-Isopropyl-piperazin-1-yl)-(6-piperidin-1-ylmethyl-pyridin-3-yl)-methanone
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3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
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(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethyl-pyridin-2-yl)-methanone
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N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide
CID 46853801

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluoropyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluoropyridine-2-carboxamide (CID 166088908) is N-cyclopropyl-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluoropyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluoropyridine-2-carboxamide is CCc1cc2ncc(CN3CCN(c4cnc(C(=O)NC5CC5)c(F)c4)CC3)cc2[nH]c1=O.
What is the InChIKey of N-cyclopropyl-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluoropyridine-2-carboxamide?
The InChIKey is QKYMNGZMFXZSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O2/c1-2-16-10-20-21(29-23(16)32)9-15(12-26-20)14-30-5-7-31(8-6-30)18-11-19(25)22(27-13-18)24(33)28-17-3-4-17/h9-13,17H,2-8,14H2,1H3,(H,28,33)(H,29,32).
What are the key properties of N-cyclopropyl-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluoropyridine-2-carboxamide?
N-cyclopropyl-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluoropyridine-2-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluoropyridine-2-carboxamide is sourced from PubChem (CID 166088908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).