4-[5-[(2-ethoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid

C19H23N5O4 — CID 69448676

IUPAC4-[5-[(2-ethoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid
SMILESCCOc1ccccc1NC(=O)Nc1ccc(N2CCN(C(=O)O)CC2)nc1
InChIInChI=1S/C19H23N5O4/c1-2-28-16-6-4-3-5-15(16)22-18(25)21-14-7-8-17(20-13-14)23-9-11-24(12-10-23)19(26)27/h3-8,13H,2,9-12H2,1H3,(H,26,27)(H2,21,22,25)
InChIKeyYKYHWEDHSYXJID-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.92
Rot. Bonds5

About 4-[5-[(2-ethoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid

4-[5-[(2-ethoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid (PubChem CID 69448676) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-[5-[(2-ethoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-[(2-ethoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid
PubChem CID69448676
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name4-[5-[(2-ethoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid
SMILESCCOc1ccccc1NC(=O)Nc1ccc(N2CCN(C(=O)O)CC2)nc1
InChIInChI=1S/C19H23N5O4/c1-2-28-16-6-4-3-5-15(16)22-18(25)21-14-7-8-17(20-13-14)23-9-11-24(12-10-23)19(26)27/h3-8,13H,2,9-12H2,1H3,(H,26,27)(H2,21,22,25)
InChIKeyYKYHWEDHSYXJID-UHFFFAOYSA-N
XLogP2.92
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethoxyphenyl)-3-[6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]urea
CID 42857738
1-(2-ethoxyphenyl)-3-[6-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]urea
CID 42857743
tert-butyl 4-[5-[(2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylate
CID 69454140
1-(2-ethoxyphenyl)-3-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]urea
CID 172888667
N-(2-ethoxyphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154747
1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867158
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 122334873
N-(2,6-dimethylphenyl)-4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
CID 90750957
benzyl 4-[5-[(2-methylphenyl)carbamoylamino]-2-pyridinyl]-1,4-diazepane-1-carboxylate
CID 46053420
N-butyl-4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
CID 4043726
1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69448711
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2-ethoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[5-[(2-ethoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid (CID 69448676) is 4-[5-[(2-ethoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[5-[(2-ethoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[5-[(2-ethoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid is CCOc1ccccc1NC(=O)Nc1ccc(N2CCN(C(=O)O)CC2)nc1.
What is the InChIKey of 4-[5-[(2-ethoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid?
The InChIKey is YKYHWEDHSYXJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-2-28-16-6-4-3-5-15(16)22-18(25)21-14-7-8-17(20-13-14)23-9-11-24(12-10-23)19(26)27/h3-8,13H,2,9-12H2,1H3,(H,26,27)(H2,21,22,25).
What are the key properties of 4-[5-[(2-ethoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid?
4-[5-[(2-ethoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2-ethoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 69448676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).