N-(2-imidazol-1-yl-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide

C22H25N5O3 — CID 164609437

IUPACN-(2-imidazol-1-yl-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide
SMILESCNC(=O)CN(CC(c1ccccc1)n1ccnc1)C(=O)c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C22H25N5O3/c1-16-11-18(12-25(3)21(16)29)22(30)27(14-20(28)23-2)13-19(26-10-9-24-15-26)17-7-5-4-6-8-17/h4-12,15,19H,13-14H2,1-3H3,(H,23,28)
InChIKeyMMQASHJWJJMBDY-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.37
Rot. Bonds7

About N-(2-imidazol-1-yl-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide

N-(2-imidazol-1-yl-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide (PubChem CID 164609437) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(2-imidazol-1-yl-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-yl-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide
PubChem CID164609437
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-(2-imidazol-1-yl-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide
SMILESCNC(=O)CN(CC(c1ccccc1)n1ccnc1)C(=O)c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C22H25N5O3/c1-16-11-18(12-25(3)21(16)29)22(30)27(14-20(28)23-2)13-19(26-10-9-24-15-26)17-7-5-4-6-8-17/h4-12,15,19H,13-14H2,1-3H3,(H,23,28)
InChIKeyMMQASHJWJJMBDY-UHFFFAOYSA-N
XLogP1.37
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-yl-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(2-imidazol-1-yl-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide (CID 164609437) is N-(2-imidazol-1-yl-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-yl-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2-imidazol-1-yl-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide is CNC(=O)CN(CC(c1ccccc1)n1ccnc1)C(=O)c1cc(C)c(=O)n(C)c1.
What is the InChIKey of N-(2-imidazol-1-yl-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The InChIKey is MMQASHJWJJMBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-16-11-18(12-25(3)21(16)29)22(30)27(14-20(28)23-2)13-19(26-10-9-24-15-26)17-7-5-4-6-8-17/h4-12,15,19H,13-14H2,1-3H3,(H,23,28).
What are the key properties of N-(2-imidazol-1-yl-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide?
N-(2-imidazol-1-yl-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-yl-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 164609437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).