6-imidazol-1-yl-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide

C22H24N4O — CID 94648066

IUPAC6-imidazol-1-yl-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
SMILESCCCN(C(=O)c1ccc(-n2ccnc2)nc1)[C@H]1CCc2ccccc2C1
InChIInChI=1S/C22H24N4O/c1-2-12-26(20-9-7-17-5-3-4-6-18(17)14-20)22(27)19-8-10-21(24-15-19)25-13-11-23-16-25/h3-6,8,10-11,13,15-16,20H,2,7,9,12,14H2,1H3/t20-/m0/s1
InChIKeyAIBHYWQZSMSZQO-FQEVSTJZSA-N
MW360.46 g/mol
LogP3.68
Rot. Bonds5

About 6-imidazol-1-yl-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide

6-imidazol-1-yl-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide (PubChem CID 94648066) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-imidazol-1-yl-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
PubChem CID94648066
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name6-imidazol-1-yl-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
SMILESCCCN(C(=O)c1ccc(-n2ccnc2)nc1)[C@H]1CCc2ccccc2C1
InChIInChI=1S/C22H24N4O/c1-2-12-26(20-9-7-17-5-3-4-6-18(17)14-20)22(27)19-8-10-21(24-15-19)25-13-11-23-16-25/h3-6,8,10-11,13,15-16,20H,2,7,9,12,14H2,1H3/t20-/m0/s1
InChIKeyAIBHYWQZSMSZQO-FQEVSTJZSA-N
XLogP3.68
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-imidazol-1-yl-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-imidazol-1-yl-N-piperidin-4-yl-N-propylpyridine-3-carboxamide
CID 119825756
N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 95156658
4-(aminomethyl)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide;hydrochloride
CID 119303185
2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122055938
3,5-dinitro-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60575030
3-[ethyl-(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 61006797
3-oxo-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 138993055
N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(tetrazol-1-yl)benzamide
CID 60575562
6-imidazol-1-yl-N-methyl-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 99823272
N-(2-aminoethyl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;methanamine
CID 142231842
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
N-benzyl-N-(2-hydroxyethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 110886459

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-imidazol-1-yl-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide (CID 94648066) is 6-imidazol-1-yl-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide is CCCN(C(=O)c1ccc(-n2ccnc2)nc1)[C@H]1CCc2ccccc2C1.
What is the InChIKey of 6-imidazol-1-yl-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide?
The InChIKey is AIBHYWQZSMSZQO-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N4O/c1-2-12-26(20-9-7-17-5-3-4-6-18(17)14-20)22(27)19-8-10-21(24-15-19)25-13-11-23-16-25/h3-6,8,10-11,13,15-16,20H,2,7,9,12,14H2,1H3/t20-/m0/s1.
What are the key properties of 6-imidazol-1-yl-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide?
6-imidazol-1-yl-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 94648066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).