N-[5-fluoro-2-(propylamino)-3-pyridinyl]formamide

C9H12FN3O — CID 135192100

IUPACN-[5-fluoro-2-(propylamino)-3-pyridinyl]formamide
SMILESCCCNc1ncc(F)cc1NC=O
InChIInChI=1S/C9H12FN3O/c1-2-3-11-9-8(13-6-14)4-7(10)5-12-9/h4-6H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyUTXNTCZANTUEAW-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.61
Rot. Bonds5

About N-[5-fluoro-2-(propylamino)-3-pyridinyl]formamide

N-[5-fluoro-2-(propylamino)-3-pyridinyl]formamide (PubChem CID 135192100) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is N-[5-fluoro-2-(propylamino)-3-pyridinyl]formamide.

Molecular Properties

Compound NameN-[5-fluoro-2-(propylamino)-3-pyridinyl]formamide
PubChem CID135192100
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC NameN-[5-fluoro-2-(propylamino)-3-pyridinyl]formamide
SMILESCCCNc1ncc(F)cc1NC=O
InChIInChI=1S/C9H12FN3O/c1-2-3-11-9-8(13-6-14)4-7(10)5-12-9/h4-6H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyUTXNTCZANTUEAW-UHFFFAOYSA-N
XLogP1.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-5-fluoro-2-pyridinyl)formamide
CID 142602489
N'-(3,5-difluoro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
CID 112676470
5-fluoro-N-(2-methylcyclopropyl)-2-(propylamino)pyridine-3-carboxamide
CID 114034997
5-fluoro-3-(6-methoxy-2-methyl-3-pyridinyl)-N-propylpyridin-2-amine
CID 171849956
N-(3,3-difluoropropyl)-3,5-difluoropyridin-2-amine
CID 127013338
5-nitro-2-(propylamino)pyridine-3-carbonitrile
CID 25197726
N-[2-[(3,5-difluoro-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 112675620
2-[(3,5-difluoro-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337617
3,5-dichloro-N-propylpyridin-2-amine
CID 30058037
5-ethyl-4-N-(5-fluoro-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80751201
3-methyl-2-N-propylpyridine-2,5-diamine
CID 62478048
N-(3-chloropropyl)-3,5-difluoropyridin-2-amine
CID 112676550

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(propylamino)-3-pyridinyl]formamide?
The IUPAC name of N-[5-fluoro-2-(propylamino)-3-pyridinyl]formamide (CID 135192100) is N-[5-fluoro-2-(propylamino)-3-pyridinyl]formamide.
What is the SMILES notation for N-[5-fluoro-2-(propylamino)-3-pyridinyl]formamide?
The canonical SMILES for N-[5-fluoro-2-(propylamino)-3-pyridinyl]formamide is CCCNc1ncc(F)cc1NC=O.
What is the InChIKey of N-[5-fluoro-2-(propylamino)-3-pyridinyl]formamide?
The InChIKey is UTXNTCZANTUEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-2-3-11-9-8(13-6-14)4-7(10)5-12-9/h4-6H,2-3H2,1H3,(H,11,12)(H,13,14).
What are the key properties of N-[5-fluoro-2-(propylamino)-3-pyridinyl]formamide?
N-[5-fluoro-2-(propylamino)-3-pyridinyl]formamide has a molecular weight of 197.21 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-(propylamino)-3-pyridinyl]formamide is sourced from PubChem (CID 135192100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).