6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide

C21H30N4O2 — CID 53327007

IUPAC6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide
SMILESCCCNC(=O)NC12CC3CC(C1)CC(NC(=O)c1cccc(C)n1)(C3)C2
InChIInChI=1S/C21H30N4O2/c1-3-7-22-19(27)25-21-11-15-8-16(12-21)10-20(9-15,13-21)24-18(26)17-6-4-5-14(2)23-17/h4-6,15-16H,3,7-13H2,1-2H3,(H,24,26)(H2,22,25,27)
InChIKeyRBXPVKWXFUWEOK-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.92
Rot. Bonds5

About 6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide

6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide (PubChem CID 53327007) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide
PubChem CID53327007
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide
SMILESCCCNC(=O)NC12CC3CC(C1)CC(NC(=O)c1cccc(C)n1)(C3)C2
InChIInChI=1S/C21H30N4O2/c1-3-7-22-19(27)25-21-11-15-8-16(12-21)10-20(9-15,13-21)24-18(26)17-6-4-5-14(2)23-17/h4-6,15-16H,3,7-13H2,1-2H3,(H,24,26)(H2,22,25,27)
InChIKeyRBXPVKWXFUWEOK-UHFFFAOYSA-N
XLogP2.92
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyrazine-2-carboxamide
CID 53327009
6-methyl-N-[3-(oxan-4-ylmethylamino)-1-adamantyl]pyridine-2-carboxamide
CID 123657933
2-(2-methoxyethoxy)ethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate
CID 67323372
2,2,2-trifluoroethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate
CID 67323386
N-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 58358628
N-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 44633442
N-[3-[2-(6-fluoro-2-pyridinyl)-2-oxoethyl]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 58358675
[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl] azetidine-1-carboxylate
CID 53327442
N-[3-[[2-(3-chlorophenyl)-2-oxoethyl]carbamoyl]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 67341856
N-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 162621415
6-(2-acetamidoethylamino)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide
CID 59161109
N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 53327244

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide (CID 53327007) is 6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide is CCCNC(=O)NC12CC3CC(C1)CC(NC(=O)c1cccc(C)n1)(C3)C2.
What is the InChIKey of 6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide?
The InChIKey is RBXPVKWXFUWEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-3-7-22-19(27)25-21-11-15-8-16(12-21)10-20(9-15,13-21)24-18(26)17-6-4-5-14(2)23-17/h4-6,15-16H,3,7-13H2,1-2H3,(H,24,26)(H2,22,25,27).
What are the key properties of 6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide?
6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide is sourced from PubChem (CID 53327007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).