N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide

C20H23N5O — CID 146091348

IUPACN-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1ccc(C(=O)NCCc2ncc(-c3ccccc3)[nH]2)cn1
InChIInChI=1S/C20H23N5O/c1-14(2)24-18-9-8-16(12-22-18)20(26)21-11-10-19-23-13-17(25-19)15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyMSAABCKEDPXFBX-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.26
Rot. Bonds7

About N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide

N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 146091348) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID146091348
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1ccc(C(=O)NCCc2ncc(-c3ccccc3)[nH]2)cn1
InChIInChI=1S/C20H23N5O/c1-14(2)24-18-9-8-16(12-22-18)20(26)21-11-10-19-23-13-17(25-19)15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyMSAABCKEDPXFBX-UHFFFAOYSA-N
XLogP3.26
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764076
N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764093
N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propan-2-amine
CID 60852746
N-[3-(N-methylanilino)propyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764046
N-[2-(4-methoxyphenyl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 84570795
3-methoxy-2,2-dimethyl-N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
CID 136560243
N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109152988
N-[2-(cyclohexen-1-yl)ethyl]-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109152784
2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
CID 68887507
N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109153277
butyl N-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 16725892
methyl 3-(5-phenyl-1H-imidazol-2-yl)propanoate
CID 116880424

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide (CID 146091348) is N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1ccc(C(=O)NCCc2ncc(-c3ccccc3)[nH]2)cn1.
What is the InChIKey of N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is MSAABCKEDPXFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14(2)24-18-9-8-16(12-22-18)20(26)21-11-10-19-23-13-17(25-19)15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 146091348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).