ethyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate

C18H22FN5O2 — CID 110186737

IUPACethyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)nc1N
InChIInChI=1S/C18H22FN5O2/c1-2-26-18(25)21-15-7-8-16(22-17(15)20)24-11-9-23(10-12-24)14-5-3-13(19)4-6-14/h3-8H,2,9-12H2,1H3,(H2,20,22)(H,21,25)
InChIKeyPAIAKCQPGUJTLS-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.70
Rot. Bonds4

About ethyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate

ethyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate (PubChem CID 110186737) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is ethyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate
PubChem CID110186737
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Nameethyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)nc1N
InChIInChI=1S/C18H22FN5O2/c1-2-26-18(25)21-15-7-8-16(22-17(15)20)24-11-9-23(10-12-24)14-5-3-13(19)4-6-14/h3-8H,2,9-12H2,1H3,(H2,20,22)(H,21,25)
InChIKeyPAIAKCQPGUJTLS-UHFFFAOYSA-N
XLogP2.70
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

prop-2-enyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate
CID 110186978
ethyl N-[2-amino-6-[(4-fluorophenyl)methyl]-3-pyridinyl]carbamate
CID 141275396
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
ethane;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 153394509
3-[4-(4-fluorophenyl)piperazin-1-yl]propyl N-(2-ethoxyphenyl)carbamate
CID 58904617
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid
CID 66706287
ethyl N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate
CID 113014423
ethyl 4-[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112811
ethyl 2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 35271468
ethyl N-[2-amino-6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]carbamate
CID 146301787
ethyl N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]carbamate
CID 11500270
ethyl N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]carbamate
CID 110292016

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate (CID 110186737) is ethyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)nc1N.
What is the InChIKey of ethyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate?
The InChIKey is PAIAKCQPGUJTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c1-2-26-18(25)21-15-7-8-16(22-17(15)20)24-11-9-23(10-12-24)14-5-3-13(19)4-6-14/h3-8H,2,9-12H2,1H3,(H2,20,22)(H,21,25).
What are the key properties of ethyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate?
ethyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate has a molecular weight of 359.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate is sourced from PubChem (CID 110186737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).