N-cyclopropyl-5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride

C14H20Cl2FN3O — CID 128964575

IUPACN-cyclopropyl-5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(c1cncc(F)c1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C14H18FN3O.2ClH/c15-11-6-10(7-16-8-11)14(19)18(13-3-4-13)9-12-2-1-5-17-12;;/h6-8,12-13,17H,1-5,9H2;2*1H
InChIKeyHHSWGLWOGFPBFF-UHFFFAOYSA-N
MW336.24 g/mol
LogP2.42
Rot. Bonds4

About N-cyclopropyl-5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride

N-cyclopropyl-5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 128964575) has the molecular formula C14H20Cl2FN3O and a molecular weight of 336.24 g/mol. Its IUPAC name is N-cyclopropyl-5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID128964575
Molecular FormulaC14H20Cl2FN3O
Molecular Weight336.24 g/mol
Exact Mass335.10
IUPAC NameN-cyclopropyl-5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(c1cncc(F)c1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C14H18FN3O.2ClH/c15-11-6-10(7-16-8-11)14(19)18(13-3-4-13)9-12-2-1-5-17-12;;/h6-8,12-13,17H,1-5,9H2;2*1H
InChIKeyHHSWGLWOGFPBFF-UHFFFAOYSA-N
XLogP2.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-5-hydroxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 106599374
N-(cyclopropylmethyl)-5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 106608284
N-cyclopropyl-5-methyl-N-(piperidin-2-ylmethyl)pyridine-3-carboxamide
CID 106626967
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 106599332
N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-carboxamide
CID 104786244
N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 104974147
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-5-fluoropyridine-3-carboxamide
CID 104785864
5-fluoro-N-methyl-N-piperidin-3-ylpyridine-3-carboxamide
CID 104786200
ethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate
CID 115694608
N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 104974197
N-cyclopropyl-5-hydroxy-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide
CID 79720724
5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride
CID 120576822

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-cyclopropyl-5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride (CID 128964575) is N-cyclopropyl-5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-cyclopropyl-5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-cyclopropyl-5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(c1cncc(F)c1)N(CC1CCCN1)C1CC1.
What is the InChIKey of N-cyclopropyl-5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is HHSWGLWOGFPBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O.2ClH/c15-11-6-10(7-16-8-11)14(19)18(13-3-4-13)9-12-2-1-5-17-12;;/h6-8,12-13,17H,1-5,9H2;2*1H.
What are the key properties of N-cyclopropyl-5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
N-cyclopropyl-5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 336.24 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 128964575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).