N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide

C17H18FN5O2 — CID 118293452

IUPACN-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N)c(C(=O)N3CC[C@@H](F)C3)c2)ccn1
InChIInChI=1S/C17H18FN5O2/c1-10(24)22-15-7-11(2-4-20-15)12-6-14(16(19)21-8-12)17(25)23-5-3-13(18)9-23/h2,4,6-8,13H,3,5,9H2,1H3,(H2,19,21)(H,20,22,24)/t13-/m1/s1
InChIKeyWCMRUERFBJRXKN-CYBMUJFWSA-N
MW343.36 g/mol
LogP1.87
Rot. Bonds3

About N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118293452) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118293452
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC NameN-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(N)c(C(=O)N3CC[C@@H](F)C3)c2)ccn1
InChIInChI=1S/C17H18FN5O2/c1-10(24)22-15-7-11(2-4-20-15)12-6-14(16(19)21-8-12)17(25)23-5-3-13(18)9-23/h2,4,6-8,13H,3,5,9H2,1H3,(H2,19,21)(H,20,22,24)/t13-/m1/s1
InChIKeyWCMRUERFBJRXKN-CYBMUJFWSA-N
XLogP1.87
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide (CID 118293452) is N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(N)c(C(=O)N3CC[C@@H](F)C3)c2)ccn1.
What is the InChIKey of N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is WCMRUERFBJRXKN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-10(24)22-15-7-11(2-4-20-15)12-6-14(16(19)21-8-12)17(25)23-5-3-13(18)9-23/h2,4,6-8,13H,3,5,9H2,1H3,(H2,19,21)(H,20,22,24)/t13-/m1/s1.
What are the key properties of N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 343.36 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-amino-5-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118293452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).