2-morpholin-4-ylethyl 3-(2-carbamoyl-4-ethenyl-5-methoxyphenyl)-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylate

C27H34N4O6 — CID 142339339

IUPAC2-morpholin-4-ylethyl 3-(2-carbamoyl-4-ethenyl-5-methoxyphenyl)-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylate
SMILESC=Cc1cc(C(N)=O)c(-c2ccc(C(=O)NCC(C)C)nc2C(=O)OCCN2CCOCC2)cc1OC
InChIInChI=1S/C27H34N4O6/c1-5-18-14-21(25(28)32)20(15-23(18)35-4)19-6-7-22(26(33)29-16-17(2)3)30-24(19)27(34)37-13-10-31-8-11-36-12-9-31/h5-7,14-15,17H,1,8-13,16H2,2-4H3,(H2,28,32)(H,29,33)
InChIKeyOPFFGHKBKCKWAS-UHFFFAOYSA-N
MW510.59 g/mol
LogP2.37
Rot. Bonds11

About 2-morpholin-4-ylethyl 3-(2-carbamoyl-4-ethenyl-5-methoxyphenyl)-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylate

2-morpholin-4-ylethyl 3-(2-carbamoyl-4-ethenyl-5-methoxyphenyl)-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylate (PubChem CID 142339339) has the molecular formula C27H34N4O6 and a molecular weight of 510.59 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 3-(2-carbamoyl-4-ethenyl-5-methoxyphenyl)-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 3-(2-carbamoyl-4-ethenyl-5-methoxyphenyl)-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylate
PubChem CID142339339
Molecular FormulaC27H34N4O6
Molecular Weight510.59 g/mol
Exact Mass510.25
IUPAC Name2-morpholin-4-ylethyl 3-(2-carbamoyl-4-ethenyl-5-methoxyphenyl)-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylate
SMILESC=Cc1cc(C(N)=O)c(-c2ccc(C(=O)NCC(C)C)nc2C(=O)OCCN2CCOCC2)cc1OC
InChIInChI=1S/C27H34N4O6/c1-5-18-14-21(25(28)32)20(15-23(18)35-4)19-6-7-22(26(33)29-16-17(2)3)30-24(19)27(34)37-13-10-31-8-11-36-12-9-31/h5-7,14-15,17H,1,8-13,16H2,2-4H3,(H2,28,32)(H,29,33)
InChIKeyOPFFGHKBKCKWAS-UHFFFAOYSA-N
XLogP2.37
TPSA133.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.59
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-morpholin-4-ylethyl 6-(cyclopropylmethylcarbamoyl)-3-[4-ethenyl-2-[2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetyl]-5-methoxyphenyl]pyridine-2-carboxylate
CID 147694306
1-(2-methylpropanoyloxy)ethyl 6-(cyclopropylmethylcarbamoyl)-3-[4-ethenyl-5-methoxy-2-[[4-[N-(2-morpholin-4-ylethoxycarbonyl)carbamimidoyl]phenyl]carbamoyl]phenyl]pyridine-2-carboxylate
CID 142339539
2-morpholin-4-ylethyl 6-[(cyclopropylmethylamino)-hydroxymethyl]-3-[4-ethenyl-2-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]carbamoyl]-5-methoxyphenyl]pyridine-2-carboxylate
CID 156546301
3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl]-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 22336140
2-[6-(cyclopropylmethylcarbamoyl)-2-(1-hydroxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid
CID 156546566
2-[6-(cyclopropylmethylcarbamoyl)-2-[1-(2-methylpropanoyloxy)ethoxycarbonyl]-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid;ethane
CID 142339401
2-[6-(cyclopropylmethylcarbamoyl)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxymethoxycarbonyl]-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid
CID 134479996
3-[2-[(4-carbamimidoylanilino)methyl]-4-ethenyl-5-methoxyphenyl]-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 22336130
propyl 3-[2-[2-(4-carbamimidoylphenyl)acetyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate
CID 148650104
methyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-5-methoxy-2-methylphenyl)pyridine-2-carboxylate
CID 167243253
2-[6-(cyclopropylmethylcarbamoyl)-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxymethoxycarbonyl]-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid
CID 155070301
2-[6-(cyclopropylmethylcarbamoyl)-2-[2-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]oxypropoxycarbonyl]-3-pyridinyl]-5-ethenyl-4-methoxybenzoic acid
CID 155070305

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 3-(2-carbamoyl-4-ethenyl-5-methoxyphenyl)-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl 3-(2-carbamoyl-4-ethenyl-5-methoxyphenyl)-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylate (CID 142339339) is 2-morpholin-4-ylethyl 3-(2-carbamoyl-4-ethenyl-5-methoxyphenyl)-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl 3-(2-carbamoyl-4-ethenyl-5-methoxyphenyl)-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl 3-(2-carbamoyl-4-ethenyl-5-methoxyphenyl)-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylate is C=Cc1cc(C(N)=O)c(-c2ccc(C(=O)NCC(C)C)nc2C(=O)OCCN2CCOCC2)cc1OC.
What is the InChIKey of 2-morpholin-4-ylethyl 3-(2-carbamoyl-4-ethenyl-5-methoxyphenyl)-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylate?
The InChIKey is OPFFGHKBKCKWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O6/c1-5-18-14-21(25(28)32)20(15-23(18)35-4)19-6-7-22(26(33)29-16-17(2)3)30-24(19)27(34)37-13-10-31-8-11-36-12-9-31/h5-7,14-15,17H,1,8-13,16H2,2-4H3,(H2,28,32)(H,29,33).
What are the key properties of 2-morpholin-4-ylethyl 3-(2-carbamoyl-4-ethenyl-5-methoxyphenyl)-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylate?
2-morpholin-4-ylethyl 3-(2-carbamoyl-4-ethenyl-5-methoxyphenyl)-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylate has a molecular weight of 510.59 g/mol, XLogP of 2.37, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 3-(2-carbamoyl-4-ethenyl-5-methoxyphenyl)-6-(2-methylpropylcarbamoyl)pyridine-2-carboxylate is sourced from PubChem (CID 142339339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).