N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxy-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide

C24H21Cl2N5O2 — CID 146371008

IUPACN-[(3,4-dichlorophenyl)methyl]-6-(2-methoxy-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide
SMILESCOc1ncccc1-c1cc(Cn2ccnc2C)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C24H21Cl2N5O2/c1-15-27-8-9-31(15)14-17-11-21(18-4-3-7-28-24(18)33-2)30-22(12-17)23(32)29-13-16-5-6-19(25)20(26)10-16/h3-12H,13-14H2,1-2H3,(H,29,32)
InChIKeyOOLKLCFIJYMSFE-UHFFFAOYSA-N
MW482.37 g/mol
LogP4.94
Rot. Bonds7

About N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxy-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide

N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxy-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide (PubChem CID 146371008) has the molecular formula C24H21Cl2N5O2 and a molecular weight of 482.37 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxy-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-6-(2-methoxy-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide
PubChem CID146371008
Molecular FormulaC24H21Cl2N5O2
Molecular Weight482.37 g/mol
Exact Mass481.11
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-6-(2-methoxy-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide
SMILESCOc1ncccc1-c1cc(Cn2ccnc2C)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C24H21Cl2N5O2/c1-15-27-8-9-31(15)14-17-11-21(18-4-3-7-28-24(18)33-2)30-22(12-17)23(32)29-13-16-5-6-19(25)20(26)10-16/h3-12H,13-14H2,1-2H3,(H,29,32)
InChIKeyOOLKLCFIJYMSFE-UHFFFAOYSA-N
XLogP4.94
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.37
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxy-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxy-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide (CID 146371008) is N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxy-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxy-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxy-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide is COc1ncccc1-c1cc(Cn2ccnc2C)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxy-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide?
The InChIKey is OOLKLCFIJYMSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N5O2/c1-15-27-8-9-31(15)14-17-11-21(18-4-3-7-28-24(18)33-2)30-22(12-17)23(32)29-13-16-5-6-19(25)20(26)10-16/h3-12H,13-14H2,1-2H3,(H,29,32).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxy-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxy-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide has a molecular weight of 482.37 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxy-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 146371008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).