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

C20H29N5O2 — CID 53327009

IUPAC6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyrazine-2-carboxamide
SMILESCCCNC(=O)NC12CC3CC(C1)CC(NC(=O)c1cncc(C)n1)(C3)C2
InChIInChI=1S/C20H29N5O2/c1-3-4-22-18(27)25-20-8-14-5-15(9-20)7-19(6-14,12-20)24-17(26)16-11-21-10-13(2)23-16/h10-11,14-15H,3-9,12H2,1-2H3,(H,24,26)(H2,22,25,27)
InChIKeyTVIIPTTYGJCCEV-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.32
Rot. Bonds5

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

6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyrazine-2-carboxamide (PubChem CID 53327009) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyrazine-2-carboxamide
PubChem CID53327009
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyrazine-2-carboxamide
SMILESCCCNC(=O)NC12CC3CC(C1)CC(NC(=O)c1cncc(C)n1)(C3)C2
InChIInChI=1S/C20H29N5O2/c1-3-4-22-18(27)25-20-8-14-5-15(9-20)7-19(6-14,12-20)24-17(26)16-11-21-10-13(2)23-16/h10-11,14-15H,3-9,12H2,1-2H3,(H,24,26)(H2,22,25,27)
InChIKeyTVIIPTTYGJCCEV-UHFFFAOYSA-N
XLogP2.32
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide
CID 53327007
N-[3-[(2-ethoxypyridine-4-carbonyl)amino]-1-adamantyl]-6-methylpyrazine-2-carboxamide
CID 58358620
6-methyl-N-propylpyrazine-2-carboxamide
CID 54299010
N-(3-amino-1-adamantyl)-6-methylpyrazine-2-carboxamide;4-(trifluoromethyl)pyrimidine-2-carboxylic acid
CID 162621516
6-methyl-N-[5-(pyrimidine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
CID 57407036
1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]-1-adamantyl]pyrazole-3-carboxamide
CID 44633202
N-[3-(pyridine-2-carbonylamino)-1-adamantyl]-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 59161064
ethyl 5-[(6-methylpyrazine-2-carbonyl)amino]bicyclo[3.2.1]octane-1-carboxylate
CID 67981106
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
6-methyl-N-[5-(pyrimidine-4-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
CID 70498117

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyrazine-2-carboxamide?
The IUPAC name of 6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyrazine-2-carboxamide (CID 53327009) is 6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyrazine-2-carboxamide is CCCNC(=O)NC12CC3CC(C1)CC(NC(=O)c1cncc(C)n1)(C3)C2.
What is the InChIKey of 6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyrazine-2-carboxamide?
The InChIKey is TVIIPTTYGJCCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-3-4-22-18(27)25-20-8-14-5-15(9-20)7-19(6-14,12-20)24-17(26)16-11-21-10-13(2)23-16/h10-11,14-15H,3-9,12H2,1-2H3,(H,24,26)(H2,22,25,27).
What are the key properties of 6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyrazine-2-carboxamide?
6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyrazine-2-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyrazine-2-carboxamide is sourced from PubChem (CID 53327009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).