N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide

C19H25N3O2 — CID 18107080

IUPACN-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCc1cccnc1NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H25N3O2/c1-12-3-2-4-20-17(12)22-16(23)11-21-18(24)19-8-13-5-14(9-19)7-15(6-13)10-19/h2-4,13-15H,5-11H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyHNBRJWFIGOBLHW-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.66
Rot. Bonds4

About N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 18107080) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID18107080
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCc1cccnc1NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H25N3O2/c1-12-3-2-4-20-17(12)22-16(23)11-21-18(24)19-8-13-5-14(9-19)7-15(6-13)10-19/h2-4,13-15H,5-11H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyHNBRJWFIGOBLHW-UHFFFAOYSA-N
XLogP2.66
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-2-pyridinyl)adamantane-1-carboxamide
CID 3142834
2-cyclopentyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]acetamide
CID 60620489
N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 55724914
methyl 2-(adamantane-1-carbonylamino)pyridine-3-carboxylate
CID 155558946
N-[2-(2-ethoxyanilino)-2-oxoethyl]adamantane-1-carboxamide
CID 51185847
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methyl-2-pyridinyl)acetamide
CID 18107024
N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-3-carboxamide
CID 47378175
1-[(3-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095862
2-anilino-N-(3-methyl-2-pyridinyl)acetamide
CID 60860277
N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide
CID 110661008
4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid
CID 810222
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]adamantane-1-carboxamide
CID 38044635

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide (CID 18107080) is N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide is Cc1cccnc1NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is HNBRJWFIGOBLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12-3-2-4-20-17(12)22-16(23)11-21-18(24)19-8-13-5-14(9-19)7-15(6-13)10-19/h2-4,13-15H,5-11H2,1H3,(H,21,24)(H,20,22,23).
What are the key properties of N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 18107080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).