2-amino-N-(5-chloro-2-pyridinyl)-3-(4,4-difluorocyclohexyl)propanamide

C14H18ClF2N3O — CID 58967481

IUPAC2-amino-N-(5-chloro-2-pyridinyl)-3-(4,4-difluorocyclohexyl)propanamide
SMILESNC(CC1CCC(F)(F)CC1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H18ClF2N3O/c15-10-1-2-12(19-8-10)20-13(21)11(18)7-9-3-5-14(16,17)6-4-9/h1-2,8-9,11H,3-7,18H2,(H,19,20,21)
InChIKeyJVHPKJFVEQVNIH-UHFFFAOYSA-N
MW317.77 g/mol
LogP3.22
Rot. Bonds4

About 2-amino-N-(5-chloro-2-pyridinyl)-3-(4,4-difluorocyclohexyl)propanamide

2-amino-N-(5-chloro-2-pyridinyl)-3-(4,4-difluorocyclohexyl)propanamide (PubChem CID 58967481) has the molecular formula C14H18ClF2N3O and a molecular weight of 317.77 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-2-pyridinyl)-3-(4,4-difluorocyclohexyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-2-pyridinyl)-3-(4,4-difluorocyclohexyl)propanamide
PubChem CID58967481
Molecular FormulaC14H18ClF2N3O
Molecular Weight317.77 g/mol
Exact Mass317.11
IUPAC Name2-amino-N-(5-chloro-2-pyridinyl)-3-(4,4-difluorocyclohexyl)propanamide
SMILESNC(CC1CCC(F)(F)CC1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H18ClF2N3O/c15-10-1-2-12(19-8-10)20-13(21)11(18)7-9-3-5-14(16,17)6-4-9/h1-2,8-9,11H,3-7,18H2,(H,19,20,21)
InChIKeyJVHPKJFVEQVNIH-UHFFFAOYSA-N
XLogP3.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-2-pyridinyl)-3-(4,4-difluorocyclohexyl)propanamide?
The IUPAC name of 2-amino-N-(5-chloro-2-pyridinyl)-3-(4,4-difluorocyclohexyl)propanamide (CID 58967481) is 2-amino-N-(5-chloro-2-pyridinyl)-3-(4,4-difluorocyclohexyl)propanamide.
What is the SMILES notation for 2-amino-N-(5-chloro-2-pyridinyl)-3-(4,4-difluorocyclohexyl)propanamide?
The canonical SMILES for 2-amino-N-(5-chloro-2-pyridinyl)-3-(4,4-difluorocyclohexyl)propanamide is NC(CC1CCC(F)(F)CC1)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-amino-N-(5-chloro-2-pyridinyl)-3-(4,4-difluorocyclohexyl)propanamide?
The InChIKey is JVHPKJFVEQVNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2N3O/c15-10-1-2-12(19-8-10)20-13(21)11(18)7-9-3-5-14(16,17)6-4-9/h1-2,8-9,11H,3-7,18H2,(H,19,20,21).
What are the key properties of 2-amino-N-(5-chloro-2-pyridinyl)-3-(4,4-difluorocyclohexyl)propanamide?
2-amino-N-(5-chloro-2-pyridinyl)-3-(4,4-difluorocyclohexyl)propanamide has a molecular weight of 317.77 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloro-2-pyridinyl)-3-(4,4-difluorocyclohexyl)propanamide is sourced from PubChem (CID 58967481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).