N-(1-adamantyl)-2-amino-6-chloropyridine-4-carboxamide

C16H20ClN3O — CID 62153371

IUPACN-(1-adamantyl)-2-amino-6-chloropyridine-4-carboxamide
SMILESNc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc(Cl)n1
InChIInChI=1S/C16H20ClN3O/c17-13-4-12(5-14(18)19-13)15(21)20-16-6-9-1-10(7-16)3-11(2-9)8-16/h4-5,9-11H,1-3,6-8H2,(H2,18,19)(H,20,21)
InChIKeyCJCGICYHUHJTJM-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.02
Rot. Bonds2

About N-(1-adamantyl)-2-amino-6-chloropyridine-4-carboxamide

N-(1-adamantyl)-2-amino-6-chloropyridine-4-carboxamide (PubChem CID 62153371) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-(1-adamantyl)-2-amino-6-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-amino-6-chloropyridine-4-carboxamide
PubChem CID62153371
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-(1-adamantyl)-2-amino-6-chloropyridine-4-carboxamide
SMILESNc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc(Cl)n1
InChIInChI=1S/C16H20ClN3O/c17-13-4-12(5-14(18)19-13)15(21)20-16-6-9-1-10(7-16)3-11(2-9)8-16/h4-5,9-11H,1-3,6-8H2,(H2,18,19)(H,20,21)
InChIKeyCJCGICYHUHJTJM-UHFFFAOYSA-N
XLogP3.02
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-N,3-N-bis(1-adamantyl)-5-aminobenzene-1,3-dicarboxamide
CID 57309710
N-(1-adamantyl)-4-chlorobenzamide
CID 2848134
N-(1-adamantyl)-3,5-dichloro-4-methoxybenzamide
CID 17102619
N-(1-adamantyl)-6-chloro-4-propan-2-ylpyridazine-3-carboxamide
CID 141463755
2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide
CID 62156055
2-amino-6-chloro-N-(oxan-3-yl)pyridine-4-carboxamide
CID 55190561
N-(1-adamantyl)-4-bromo-3-chlorobenzamide
CID 81295141
N-(1-adamantyl)-5-aminopyridine-2-carboxamide
CID 81309951
2-amino-6-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]pyridine-4-carboxamide
CID 115605591
2-amino-6-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 113429248
N-(1-adamantyl)-2-chloro-4,5-difluorobenzamide
CID 2966846
2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 62159652

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-amino-6-chloropyridine-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-2-amino-6-chloropyridine-4-carboxamide (CID 62153371) is N-(1-adamantyl)-2-amino-6-chloropyridine-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-2-amino-6-chloropyridine-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-2-amino-6-chloropyridine-4-carboxamide is Nc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc(Cl)n1.
What is the InChIKey of N-(1-adamantyl)-2-amino-6-chloropyridine-4-carboxamide?
The InChIKey is CJCGICYHUHJTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c17-13-4-12(5-14(18)19-13)15(21)20-16-6-9-1-10(7-16)3-11(2-9)8-16/h4-5,9-11H,1-3,6-8H2,(H2,18,19)(H,20,21).
What are the key properties of N-(1-adamantyl)-2-amino-6-chloropyridine-4-carboxamide?
N-(1-adamantyl)-2-amino-6-chloropyridine-4-carboxamide has a molecular weight of 305.81 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-amino-6-chloropyridine-4-carboxamide is sourced from PubChem (CID 62153371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).