N-(1-adamantyl)-4-amino-1-methylpyrrole-2-carboxamide

C16H23N3O — CID 43642586

IUPACN-(1-adamantyl)-4-amino-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H23N3O/c1-19-9-13(17)5-14(19)15(20)18-16-6-10-2-11(7-16)4-12(3-10)8-16/h5,9-12H,2-4,6-8,17H2,1H3,(H,18,20)
InChIKeyQAEOHHDOAVJTGR-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.31
Rot. Bonds2

About N-(1-adamantyl)-4-amino-1-methylpyrrole-2-carboxamide

N-(1-adamantyl)-4-amino-1-methylpyrrole-2-carboxamide (PubChem CID 43642586) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(1-adamantyl)-4-amino-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-amino-1-methylpyrrole-2-carboxamide
PubChem CID43642586
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(1-adamantyl)-4-amino-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H23N3O/c1-19-9-13(17)5-14(19)15(20)18-16-6-10-2-11(7-16)4-12(3-10)8-16/h5,9-12H,2-4,6-8,17H2,1H3,(H,18,20)
InChIKeyQAEOHHDOAVJTGR-UHFFFAOYSA-N
XLogP2.31
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-bis(1-adamantyl)-5-aminobenzene-1,3-dicarboxamide
CID 57309710
4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrrole-2-carboxamide
CID 43643546
N-(1-adamantyl)-4-amino-1-methylpyrazole-5-carboxamide
CID 65355510
4-amino-1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43642107
4-amino-1-methyl-N-(1-methylpyrrolidin-3-yl)pyrrole-2-carboxamide
CID 61461789
4-amino-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrrole-2-carboxamide
CID 65104236
3-[5-(1-adamantylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19489971
4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
CID 106119092
4-amino-N-(2,2-dichloroethyl)-1-methylpyrrole-2-carboxamide
CID 130551753
4-amino-N-(2,2-difluoro-3-hydroxypropyl)-1-methylpyrrole-2-carboxamide
CID 106164382
N-(1-adamantyl)-5-aminopyridine-2-carboxamide
CID 81309951
N-(1-adamantyl)-6-chloro-4-propan-2-ylpyridazine-3-carboxamide
CID 141463755

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-amino-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(1-adamantyl)-4-amino-1-methylpyrrole-2-carboxamide (CID 43642586) is N-(1-adamantyl)-4-amino-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-4-amino-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(1-adamantyl)-4-amino-1-methylpyrrole-2-carboxamide is Cn1cc(N)cc1C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-4-amino-1-methylpyrrole-2-carboxamide?
The InChIKey is QAEOHHDOAVJTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-19-9-13(17)5-14(19)15(20)18-16-6-10-2-11(7-16)4-12(3-10)8-16/h5,9-12H,2-4,6-8,17H2,1H3,(H,18,20).
What are the key properties of N-(1-adamantyl)-4-amino-1-methylpyrrole-2-carboxamide?
N-(1-adamantyl)-4-amino-1-methylpyrrole-2-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-amino-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43642586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).