4-(6-ethoxy-2-pyridinyl)-N-(4-fluoro-2-methoxyphenyl)piperazine-1-carboxamide

C19H23FN4O3 — CID 136524268

IUPAC4-(6-ethoxy-2-pyridinyl)-N-(4-fluoro-2-methoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1cccc(N2CCN(C(=O)Nc3ccc(F)cc3OC)CC2)n1
InChIInChI=1S/C19H23FN4O3/c1-3-27-18-6-4-5-17(22-18)23-9-11-24(12-10-23)19(25)21-15-8-7-14(20)13-16(15)26-2/h4-8,13H,3,9-12H2,1-2H3,(H,21,25)
InChIKeyQSWZLDYDPVXDIY-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.98
Rot. Bonds5

About 4-(6-ethoxy-2-pyridinyl)-N-(4-fluoro-2-methoxyphenyl)piperazine-1-carboxamide

4-(6-ethoxy-2-pyridinyl)-N-(4-fluoro-2-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 136524268) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-(6-ethoxy-2-pyridinyl)-N-(4-fluoro-2-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6-ethoxy-2-pyridinyl)-N-(4-fluoro-2-methoxyphenyl)piperazine-1-carboxamide
PubChem CID136524268
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name4-(6-ethoxy-2-pyridinyl)-N-(4-fluoro-2-methoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1cccc(N2CCN(C(=O)Nc3ccc(F)cc3OC)CC2)n1
InChIInChI=1S/C19H23FN4O3/c1-3-27-18-6-4-5-17(22-18)23-9-11-24(12-10-23)19(25)21-15-8-7-14(20)13-16(15)26-2/h4-8,13H,3,9-12H2,1-2H3,(H,21,25)
InChIKeyQSWZLDYDPVXDIY-UHFFFAOYSA-N
XLogP2.98
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)pyridin-2-amine
CID 49865599
N-(6-fluoro-2-pyridinyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-1-carboxamide
CID 168282708
N-(6-bromo-2-pyridinyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-1-carboxamide
CID 168295143
N-(2-ethoxyphenyl)-6-[(2-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 2950845
1-(2-Ethoxyphenyl)-3-pyridin-2-ylurea
CID 6466207
N-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 762653
1-[(6-Fluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl]-4-(2-methoxyphenyl)piperazine
CID 11509806
6-[({1-[2-(6-Fluoro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15983553
N-[3-[[3-(azepan-1-yl)-6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]oxy]phenyl]prop-2-enamide
CID 150631495
N-[3-[[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-3-piperidin-1-yl-2-pyridinyl]oxy]phenyl]prop-2-enamide
CID 150967523
N-[3-[[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]oxy]phenyl]prop-2-enamide
CID 151821865
N-[2-methoxy-5-[[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-3-pyrrolidin-1-yl-2-pyridinyl]oxy]phenyl]prop-2-enamide
CID 152242423

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethoxy-2-pyridinyl)-N-(4-fluoro-2-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(6-ethoxy-2-pyridinyl)-N-(4-fluoro-2-methoxyphenyl)piperazine-1-carboxamide (CID 136524268) is 4-(6-ethoxy-2-pyridinyl)-N-(4-fluoro-2-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(6-ethoxy-2-pyridinyl)-N-(4-fluoro-2-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(6-ethoxy-2-pyridinyl)-N-(4-fluoro-2-methoxyphenyl)piperazine-1-carboxamide is CCOc1cccc(N2CCN(C(=O)Nc3ccc(F)cc3OC)CC2)n1.
What is the InChIKey of 4-(6-ethoxy-2-pyridinyl)-N-(4-fluoro-2-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is QSWZLDYDPVXDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-3-27-18-6-4-5-17(22-18)23-9-11-24(12-10-23)19(25)21-15-8-7-14(20)13-16(15)26-2/h4-8,13H,3,9-12H2,1-2H3,(H,21,25).
What are the key properties of 4-(6-ethoxy-2-pyridinyl)-N-(4-fluoro-2-methoxyphenyl)piperazine-1-carboxamide?
4-(6-ethoxy-2-pyridinyl)-N-(4-fluoro-2-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethoxy-2-pyridinyl)-N-(4-fluoro-2-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 136524268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).