N-(3-bromophenyl)-6-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]pyridine-3-carboxamide

C30H27BrN4O3 — CID 91453461

IUPACN-(3-bromophenyl)-6-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(c2ccccc2)N2CCOCC2)cc1-c1ccc(C(=O)Nc2cccc(Br)c2)cn1
InChIInChI=1S/C30H27BrN4O3/c1-21-10-11-22(30(37)35(26-8-3-2-4-9-26)34-14-16-38-17-15-34)18-27(21)28-13-12-23(20-32-28)29(36)33-25-7-5-6-24(31)19-25/h2-13,18-20H,14-17H2,1H3,(H,33,36)
InChIKeyHQMWNUQBRGMGHM-UHFFFAOYSA-N
MW571.48 g/mol
LogP5.97
Rot. Bonds6

About N-(3-bromophenyl)-6-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]pyridine-3-carboxamide

N-(3-bromophenyl)-6-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 91453461) has the molecular formula C30H27BrN4O3 and a molecular weight of 571.48 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID91453461
Molecular FormulaC30H27BrN4O3
Molecular Weight571.48 g/mol
Exact Mass570.13
IUPAC NameN-(3-bromophenyl)-6-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(c2ccccc2)N2CCOCC2)cc1-c1ccc(C(=O)Nc2cccc(Br)c2)cn1
InChIInChI=1S/C30H27BrN4O3/c1-21-10-11-22(30(37)35(26-8-3-2-4-9-26)34-14-16-38-17-15-34)18-27(21)28-13-12-23(20-32-28)29(36)33-25-7-5-6-24(31)19-25/h2-13,18-20H,14-17H2,1H3,(H,33,36)
InChIKeyHQMWNUQBRGMGHM-UHFFFAOYSA-N
XLogP5.97
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.48
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-indazol-6-yl)-6-[2-methyl-5-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 25221578
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CID 91014188
4-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]piperazine-1-carboxylic acid
CID 91457388
N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
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4-[3-[(3-bromophenyl)carbamoyl]phenyl]-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 67374630
N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
6-anilino-N-(3-bromophenyl)pyridine-3-carboxamide
CID 109162087
N-(3-bromophenyl)-2-morpholin-4-ylcyclohexene-1-carboxamide
CID 58487707
3-bromo-N-(3-morpholin-4-ylphenyl)benzamide
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N-(4-bromo-3-chlorophenyl)-6-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 58639494
N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-morpholin-4-ylbenzamide
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N-[3-(morpholine-4-carbonyl)phenyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide
CID 95146314

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-6-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]pyridine-3-carboxamide (CID 91453461) is N-(3-bromophenyl)-6-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-6-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-6-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]pyridine-3-carboxamide is Cc1ccc(C(=O)N(c2ccccc2)N2CCOCC2)cc1-c1ccc(C(=O)Nc2cccc(Br)c2)cn1.
What is the InChIKey of N-(3-bromophenyl)-6-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is HQMWNUQBRGMGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27BrN4O3/c1-21-10-11-22(30(37)35(26-8-3-2-4-9-26)34-14-16-38-17-15-34)18-27(21)28-13-12-23(20-32-28)29(36)33-25-7-5-6-24(31)19-25/h2-13,18-20H,14-17H2,1H3,(H,33,36).
What are the key properties of N-(3-bromophenyl)-6-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]pyridine-3-carboxamide?
N-(3-bromophenyl)-6-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 571.48 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 91453461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).