N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide

C19H18FN5O — CID 126787655

IUPACN-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide
SMILESO=C(CCc1cncc(F)c1)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1
InChIInChI=1S/C19H18FN5O/c20-15-9-12(10-21-11-15)1-8-17(26)22-16-6-4-14(5-7-16)19-23-18(24-25-19)13-2-3-13/h4-7,9-11,13H,1-3,8H2,(H,22,26)(H,23,24,25)
InChIKeyBLFMNHDILZNPDJ-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.45
Rot. Bonds6

About N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide

N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide (PubChem CID 126787655) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide
PubChem CID126787655
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC NameN-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide
SMILESO=C(CCc1cncc(F)c1)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1
InChIInChI=1S/C19H18FN5O/c20-15-9-12(10-21-11-15)1-8-17(26)22-16-6-4-14(5-7-16)19-23-18(24-25-19)13-2-3-13/h4-7,9-11,13H,1-3,8H2,(H,22,26)(H,23,24,25)
InChIKeyBLFMNHDILZNPDJ-UHFFFAOYSA-N
XLogP3.45
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide
CID 126768224
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(methylamino)butanamide
CID 119763580
N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-[2-(methanesulfonamido)ethyl]benzamide
CID 166182463
9-amino-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988565
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
CID 120566722
4-(azepan-1-ylmethyl)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]piperidine-1-carboxamide
CID 56518428
N-[2-(cyclopropylmethoxy)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide
CID 126772704
1-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea
CID 56519582
3-chloro-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide
CID 169121936
1-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 56518554
5-cyclopropyl-3-phenyl-1H-1,2,4-triazole
CID 61338880
3-(4-fluorophenyl)-N-pyridin-4-ylpropanamide
CID 30157880

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide?
The IUPAC name of N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide (CID 126787655) is N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide.
What is the SMILES notation for N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide?
The canonical SMILES for N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide is O=C(CCc1cncc(F)c1)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1.
What is the InChIKey of N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide?
The InChIKey is BLFMNHDILZNPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c20-15-9-12(10-21-11-15)1-8-17(26)22-16-6-4-14(5-7-16)19-23-18(24-25-19)13-2-3-13/h4-7,9-11,13H,1-3,8H2,(H,22,26)(H,23,24,25).
What are the key properties of N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide?
N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide has a molecular weight of 351.39 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide is sourced from PubChem (CID 126787655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).