N-[2-chloro-4-(2-hydroxyethoxy)phenyl]-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide

C29H31ClN4O5 — CID 91509829

IUPACN-[2-chloro-4-(2-hydroxyethoxy)phenyl]-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccc(C2=CCN(C(=O)Nc3ccc(OCCO)cc3Cl)CC2)cc1
InChIInChI=1S/C29H31ClN4O5/c1-19-3-10-27(38-2)26(17-19)32-28(36)31-22-6-4-20(5-7-22)21-11-13-34(14-12-21)29(37)33-25-9-8-23(18-24(25)30)39-16-15-35/h3-11,17-18,35H,12-16H2,1-2H3,(H,33,37)(H2,31,32,36)
InChIKeyLYUMWDHRVGWVNE-UHFFFAOYSA-N
MW551.04 g/mol
LogP5.99
Rot. Bonds8

About N-[2-chloro-4-(2-hydroxyethoxy)phenyl]-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide

N-[2-chloro-4-(2-hydroxyethoxy)phenyl]-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 91509829) has the molecular formula C29H31ClN4O5 and a molecular weight of 551.04 g/mol. Its IUPAC name is N-[2-chloro-4-(2-hydroxyethoxy)phenyl]-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-(2-hydroxyethoxy)phenyl]-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID91509829
Molecular FormulaC29H31ClN4O5
Molecular Weight551.04 g/mol
Exact Mass550.20
IUPAC NameN-[2-chloro-4-(2-hydroxyethoxy)phenyl]-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccc(C2=CCN(C(=O)Nc3ccc(OCCO)cc3Cl)CC2)cc1
InChIInChI=1S/C29H31ClN4O5/c1-19-3-10-27(38-2)26(17-19)32-28(36)31-22-6-4-20(5-7-22)21-11-13-34(14-12-21)29(37)33-25-9-8-23(18-24(25)30)39-16-15-35/h3-11,17-18,35H,12-16H2,1-2H3,(H,33,37)(H2,31,32,36)
InChIKeyLYUMWDHRVGWVNE-UHFFFAOYSA-N
XLogP5.99
TPSA112.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.04
LogP ≤ 55.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-2-pyridinyl)-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 69448105
N-[2-chloro-4-(2-hydroxyethoxy)phenyl]-6-[(3,5-dimethoxyphenyl)carbamoylamino]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 91565311
N-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 4987994
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
N-[2-chloro-4-(2,3-dihydroxypropoxy)phenyl]-6-[(2-methoxyphenyl)carbamoylamino]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 91615455
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
CID 91192403
N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6465919
1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53060365
methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate
CID 108992050
1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69447816

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(2-hydroxyethoxy)phenyl]-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-[2-chloro-4-(2-hydroxyethoxy)phenyl]-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 91509829) is N-[2-chloro-4-(2-hydroxyethoxy)phenyl]-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-[2-chloro-4-(2-hydroxyethoxy)phenyl]-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-[2-chloro-4-(2-hydroxyethoxy)phenyl]-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is COc1ccc(C)cc1NC(=O)Nc1ccc(C2=CCN(C(=O)Nc3ccc(OCCO)cc3Cl)CC2)cc1.
What is the InChIKey of N-[2-chloro-4-(2-hydroxyethoxy)phenyl]-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is LYUMWDHRVGWVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN4O5/c1-19-3-10-27(38-2)26(17-19)32-28(36)31-22-6-4-20(5-7-22)21-11-13-34(14-12-21)29(37)33-25-9-8-23(18-24(25)30)39-16-15-35/h3-11,17-18,35H,12-16H2,1-2H3,(H,33,37)(H2,31,32,36).
What are the key properties of N-[2-chloro-4-(2-hydroxyethoxy)phenyl]-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
N-[2-chloro-4-(2-hydroxyethoxy)phenyl]-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 551.04 g/mol, XLogP of 5.99, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(2-hydroxyethoxy)phenyl]-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 91509829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).