N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]propanamide

C14H17FN4O — CID 175370478

IUPACN-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]propanamide
SMILESCCC(=O)N[C@@H](CC)c1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C14H17FN4O/c1-3-12(18-14(20)4-2)10-5-6-13(16-7-10)19-9-11(15)8-17-19/h5-9,12H,3-4H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyDRPFAGINTTVIGK-LBPRGKRZSA-N
MW276.31 g/mol
LogP2.38
Rot. Bonds5

About N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]propanamide

N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]propanamide (PubChem CID 175370478) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]propanamide
PubChem CID175370478
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC NameN-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]propanamide
SMILESCCC(=O)N[C@@H](CC)c1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C14H17FN4O/c1-3-12(18-14(20)4-2)10-5-6-13(16-7-10)19-9-11(15)8-17-19/h5-9,12H,3-4H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyDRPFAGINTTVIGK-LBPRGKRZSA-N
XLogP2.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamate
CID 146398960
N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide
CID 142278872
ethane;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine
CID 145307256
1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;dihydrochloride
CID 146157882
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohexanecarboxamide
CID 142475463
N-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
CID 138961835
3-[(2-chloroacetyl)amino]-3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethylcarbamoyl]azetidine-1-carboxylic acid
CID 175040696
(1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 145307264
5-bromo-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-N-methylpyridin-2-amine
CID 156894998
6-(4-fluoropyrazol-1-yl)pyridine-3-carboxylic acid;1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone
CID 164997926
tert-butyl 4-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethylsulfanyl]piperidine-1-carboxylate
CID 175149518
3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide
CID 140839103

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]propanamide?
The IUPAC name of N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]propanamide (CID 175370478) is N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]propanamide.
What is the SMILES notation for N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]propanamide?
The canonical SMILES for N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]propanamide is CCC(=O)N[C@@H](CC)c1ccc(-n2cc(F)cn2)nc1.
What is the InChIKey of N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]propanamide?
The InChIKey is DRPFAGINTTVIGK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-3-12(18-14(20)4-2)10-5-6-13(16-7-10)19-9-11(15)8-17-19/h5-9,12H,3-4H2,1-2H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]propanamide?
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]propanamide has a molecular weight of 276.31 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]propanamide is sourced from PubChem (CID 175370478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).