N-(3,3-dimethylcyclopentyl)-5-(ethylamino)pyridine-2-carboxamide

C15H23N3O — CID 114540713

IUPACN-(3,3-dimethylcyclopentyl)-5-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)NC2CCC(C)(C)C2)nc1
InChIInChI=1S/C15H23N3O/c1-4-16-12-5-6-13(17-10-12)14(19)18-11-7-8-15(2,3)9-11/h5-6,10-11,16H,4,7-9H2,1-3H3,(H,18,19)
InChIKeySBVNRBFBWYEBCW-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.82
Rot. Bonds4

About N-(3,3-dimethylcyclopentyl)-5-(ethylamino)pyridine-2-carboxamide

N-(3,3-dimethylcyclopentyl)-5-(ethylamino)pyridine-2-carboxamide (PubChem CID 114540713) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-5-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-5-(ethylamino)pyridine-2-carboxamide
PubChem CID114540713
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(3,3-dimethylcyclopentyl)-5-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)NC2CCC(C)(C)C2)nc1
InChIInChI=1S/C15H23N3O/c1-4-16-12-5-6-13(17-10-12)14(19)18-11-7-8-15(2,3)9-11/h5-6,10-11,16H,4,7-9H2,1-3H3,(H,18,19)
InChIKeySBVNRBFBWYEBCW-UHFFFAOYSA-N
XLogP2.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-5-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-5-(ethylamino)pyridine-2-carboxamide (CID 114540713) is N-(3,3-dimethylcyclopentyl)-5-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-5-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-5-(ethylamino)pyridine-2-carboxamide is CCNc1ccc(C(=O)NC2CCC(C)(C)C2)nc1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-5-(ethylamino)pyridine-2-carboxamide?
The InChIKey is SBVNRBFBWYEBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-16-12-5-6-13(17-10-12)14(19)18-11-7-8-15(2,3)9-11/h5-6,10-11,16H,4,7-9H2,1-3H3,(H,18,19).
What are the key properties of N-(3,3-dimethylcyclopentyl)-5-(ethylamino)pyridine-2-carboxamide?
N-(3,3-dimethylcyclopentyl)-5-(ethylamino)pyridine-2-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-5-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 114540713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).