N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)propanamide

C13H13FN4O — CID 162746577

IUPACN-(4-amino-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)propanamide
SMILESCCC(=O)N(c1cc(N)ccn1)c1ccncc1F
InChIInChI=1S/C13H13FN4O/c1-2-13(19)18(11-4-5-16-8-10(11)14)12-7-9(15)3-6-17-12/h3-8H,2H2,1H3,(H2,15,17)
InChIKeyNPHOEFBVCQAYGU-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.27
Rot. Bonds3

About N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)propanamide

N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)propanamide (PubChem CID 162746577) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)propanamide
PubChem CID162746577
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC NameN-(4-amino-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)propanamide
SMILESCCC(=O)N(c1cc(N)ccn1)c1ccncc1F
InChIInChI=1S/C13H13FN4O/c1-2-13(19)18(11-4-5-16-8-10(11)14)12-7-9(15)3-6-17-12/h3-8H,2H2,1H3,(H2,15,17)
InChIKeyNPHOEFBVCQAYGU-UHFFFAOYSA-N
XLogP2.27
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)propanamide?
The IUPAC name of N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)propanamide (CID 162746577) is N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)propanamide.
What is the SMILES notation for N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)propanamide?
The canonical SMILES for N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)propanamide is CCC(=O)N(c1cc(N)ccn1)c1ccncc1F.
What is the InChIKey of N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)propanamide?
The InChIKey is NPHOEFBVCQAYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c1-2-13(19)18(11-4-5-16-8-10(11)14)12-7-9(15)3-6-17-12/h3-8H,2H2,1H3,(H2,15,17).
What are the key properties of N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)propanamide?
N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)propanamide has a molecular weight of 260.27 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)propanamide is sourced from PubChem (CID 162746577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).