N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-imino-3-methylimidazol-1-yl)methyl]pyridine-2-carboxamide

C26H26ClFN6O — CID 146456030

IUPACN-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-imino-3-methylimidazol-1-yl)methyl]pyridine-2-carboxamide
SMILES[H]/N=c1\n(C)ccn1Cc1cc(C(=O)NC(C)c2cc(C)c(Cl)cn2)nc(-c2ccc(F)cc2C)c1
InChIInChI=1S/C26H26ClFN6O/c1-15-9-19(28)5-6-20(15)23-11-18(14-34-8-7-33(4)26(34)29)12-24(32-23)25(35)31-17(3)22-10-16(2)21(27)13-30-22/h5-13,17,29H,14H2,1-4H3,(H,31,35)/b29-26+
InChIKeyVGNKYNRRDSPVQH-PBBVDAKRSA-N
MW492.99 g/mol
LogP4.71
Rot. Bonds6

About N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-imino-3-methylimidazol-1-yl)methyl]pyridine-2-carboxamide

N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-imino-3-methylimidazol-1-yl)methyl]pyridine-2-carboxamide (PubChem CID 146456030) has the molecular formula C26H26ClFN6O and a molecular weight of 492.99 g/mol. Its IUPAC name is N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-imino-3-methylimidazol-1-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-imino-3-methylimidazol-1-yl)methyl]pyridine-2-carboxamide
PubChem CID146456030
Molecular FormulaC26H26ClFN6O
Molecular Weight492.99 g/mol
Exact Mass492.18
IUPAC NameN-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-imino-3-methylimidazol-1-yl)methyl]pyridine-2-carboxamide
SMILES[H]/N=c1\n(C)ccn1Cc1cc(C(=O)NC(C)c2cc(C)c(Cl)cn2)nc(-c2ccc(F)cc2C)c1
InChIInChI=1S/C26H26ClFN6O/c1-15-9-19(28)5-6-20(15)23-11-18(14-34-8-7-33(4)26(34)29)12-24(32-23)25(35)31-17(3)22-10-16(2)21(27)13-30-22/h5-13,17,29H,14H2,1-4H3,(H,31,35)/b29-26+
InChIKeyVGNKYNRRDSPVQH-PBBVDAKRSA-N
XLogP4.71
TPSA88.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.99
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-imino-3-methylimidazol-1-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-imino-3-methylimidazol-1-yl)methyl]pyridine-2-carboxamide (CID 146456030) is N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-imino-3-methylimidazol-1-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-imino-3-methylimidazol-1-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-imino-3-methylimidazol-1-yl)methyl]pyridine-2-carboxamide is [H]/N=c1\n(C)ccn1Cc1cc(C(=O)NC(C)c2cc(C)c(Cl)cn2)nc(-c2ccc(F)cc2C)c1.
What is the InChIKey of N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-imino-3-methylimidazol-1-yl)methyl]pyridine-2-carboxamide?
The InChIKey is VGNKYNRRDSPVQH-PBBVDAKRSA-N. The full InChI is InChI=1S/C26H26ClFN6O/c1-15-9-19(28)5-6-20(15)23-11-18(14-34-8-7-33(4)26(34)29)12-24(32-23)25(35)31-17(3)22-10-16(2)21(27)13-30-22/h5-13,17,29H,14H2,1-4H3,(H,31,35)/b29-26+.
What are the key properties of N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-imino-3-methylimidazol-1-yl)methyl]pyridine-2-carboxamide?
N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-imino-3-methylimidazol-1-yl)methyl]pyridine-2-carboxamide has a molecular weight of 492.99 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-4-methyl-2-pyridinyl)ethyl]-6-(4-fluoro-2-methylphenyl)-4-[(2-imino-3-methylimidazol-1-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 146456030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).