N-(2-amino-2-methylpropyl)-6-[3-[3-[5-[(2-amino-2-methylpropyl)carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide

C34H38Cl2N6O4 — CID 146206923

IUPACN-(2-amino-2-methylpropyl)-6-[3-[3-[5-[(2-amino-2-methylpropyl)carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(C(=O)NCC(C)(C)N)c(OC)n4)c3Cl)c2Cl)ccc1C(=O)NCC(C)(C)N
InChIInChI=1S/C34H38Cl2N6O4/c1-33(2,37)17-39-29(43)23-13-15-25(41-31(23)45-5)21-11-7-9-19(27(21)35)20-10-8-12-22(28(20)36)26-16-14-24(32(42-26)46-6)30(44)40-18-34(3,4)38/h7-16H,17-18,37-38H2,1-6H3,(H,39,43)(H,40,44)
InChIKeyZPXBJEIYGKYEII-UHFFFAOYSA-N
MW665.62 g/mol
LogP5.74
Rot. Bonds11

About N-(2-amino-2-methylpropyl)-6-[3-[3-[5-[(2-amino-2-methylpropyl)carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide

N-(2-amino-2-methylpropyl)-6-[3-[3-[5-[(2-amino-2-methylpropyl)carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide (PubChem CID 146206923) has the molecular formula C34H38Cl2N6O4 and a molecular weight of 665.62 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-6-[3-[3-[5-[(2-amino-2-methylpropyl)carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-6-[3-[3-[5-[(2-amino-2-methylpropyl)carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide
PubChem CID146206923
Molecular FormulaC34H38Cl2N6O4
Molecular Weight665.62 g/mol
Exact Mass664.23
IUPAC NameN-(2-amino-2-methylpropyl)-6-[3-[3-[5-[(2-amino-2-methylpropyl)carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(C(=O)NCC(C)(C)N)c(OC)n4)c3Cl)c2Cl)ccc1C(=O)NCC(C)(C)N
InChIInChI=1S/C34H38Cl2N6O4/c1-33(2,37)17-39-29(43)23-13-15-25(41-31(23)45-5)21-11-7-9-19(27(21)35)20-10-8-12-22(28(20)36)26-16-14-24(32(42-26)46-6)30(44)40-18-34(3,4)38/h7-16H,17-18,37-38H2,1-6H3,(H,39,43)(H,40,44)
InChIKeyZPXBJEIYGKYEII-UHFFFAOYSA-N
XLogP5.74
TPSA154.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.62
LogP ≤ 55.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-(2-amino-2-methylpropyl)-6-[3-[3-[5-[(2-amino-2-methylpropyl)carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide with MolForge

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Related Compounds

2-Butoxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-phenyl)-N-methyl-nicotinamide
CID 10151772
5-(4-Chloro-phenyl)-2-cyclohexylmethoxy-6-(2,4-dichloro-phenyl)-N-propyl-nicotinamide
CID 10152740
5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4-difluoro-benzyloxy)-N-isopropyl-nicotinamide
CID 10196577
5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4-difluoro-benzyloxy)-N-(2-fluoro-ethyl)-nicotinamide
CID 10218471
5-(4-Chloro-phenyl)-2-cyclohexylmethoxy-6-(2,4-dichloro-phenyl)-N-methyl-nicotinamide
CID 10239221
2-Butoxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-phenyl)-N-propyl-nicotinamide
CID 10289044
5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4-difluoro-benzyloxy)-N-ethyl-nicotinamide
CID 10311846
2-Benzyloxy-5-(4-chloro-phenyl)-N-cyclopentyl-6-(2,4-dichloro-phenyl)-nicotinamide
CID 44390703
5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4-difluoro-benzyloxy)-N-propyl-nicotinamide
CID 44390712
2-Benzyloxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-phenyl)-N-methyl-nicotinamide
CID 44390728
2-Benzyloxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-phenyl)-N-ethyl-nicotinamide
CID 44390747
2-Benzyloxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-phenyl)-N-propyl-nicotinamide
CID 44390757

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-6-[3-[3-[5-[(2-amino-2-methylpropyl)carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-6-[3-[3-[5-[(2-amino-2-methylpropyl)carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide (CID 146206923) is N-(2-amino-2-methylpropyl)-6-[3-[3-[5-[(2-amino-2-methylpropyl)carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-6-[3-[3-[5-[(2-amino-2-methylpropyl)carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-6-[3-[3-[5-[(2-amino-2-methylpropyl)carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide is COc1nc(-c2cccc(-c3cccc(-c4ccc(C(=O)NCC(C)(C)N)c(OC)n4)c3Cl)c2Cl)ccc1C(=O)NCC(C)(C)N.
What is the InChIKey of N-(2-amino-2-methylpropyl)-6-[3-[3-[5-[(2-amino-2-methylpropyl)carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is ZPXBJEIYGKYEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38Cl2N6O4/c1-33(2,37)17-39-29(43)23-13-15-25(41-31(23)45-5)21-11-7-9-19(27(21)35)20-10-8-12-22(28(20)36)26-16-14-24(32(42-26)46-6)30(44)40-18-34(3,4)38/h7-16H,17-18,37-38H2,1-6H3,(H,39,43)(H,40,44).
What are the key properties of N-(2-amino-2-methylpropyl)-6-[3-[3-[5-[(2-amino-2-methylpropyl)carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide?
N-(2-amino-2-methylpropyl)-6-[3-[3-[5-[(2-amino-2-methylpropyl)carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 665.62 g/mol, XLogP of 5.74, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-6-[3-[3-[5-[(2-amino-2-methylpropyl)carbamoyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 146206923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).