4-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide

C15H24N4O — CID 133455079

IUPAC4-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCCCN(C)CC1CCN(c2ccncc2C(N)=O)C1
InChIInChI=1S/C15H24N4O/c1-3-7-18(2)10-12-5-8-19(11-12)14-4-6-17-9-13(14)15(16)20/h4,6,9,12H,3,5,7-8,10-11H2,1-2H3,(H2,16,20)
InChIKeyRRJDAONNDOOHIN-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.35
Rot. Bonds6

About 4-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide

4-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 133455079) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID133455079
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCCCN(C)CC1CCN(c2ccncc2C(N)=O)C1
InChIInChI=1S/C15H24N4O/c1-3-7-18(2)10-12-5-8-19(11-12)14-4-6-17-9-13(14)15(16)20/h4,6,9,12H,3,5,7-8,10-11H2,1-2H3,(H2,16,20)
InChIKeyRRJDAONNDOOHIN-UHFFFAOYSA-N
XLogP1.35
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxamide
CID 133442039
4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 81244824
4-[4-(N-methylanilino)piperidin-1-yl]pyridine-3-carboxamide
CID 133470712
4-[3-[(2-methylpropanoylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133469712
N-methyl-2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-2-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)acetamide
CID 166277929
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 81243873
4-(4-ethylsulfonylpiperazin-1-yl)pyridine-3-carboxamide
CID 133443019
4-[3-(azepan-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133470685
4-(4-tert-butylazepan-1-yl)pyridine-3-carboxamide
CID 133471382
4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133470476
N-methyl-N-[[1-(2-methyl-4-nitrophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 133341267
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133442574

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 4-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide (CID 133455079) is 4-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide is CCCN(C)CC1CCN(c2ccncc2C(N)=O)C1.
What is the InChIKey of 4-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is RRJDAONNDOOHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-7-18(2)10-12-5-8-19(11-12)14-4-6-17-9-13(14)15(16)20/h4,6,9,12H,3,5,7-8,10-11H2,1-2H3,(H2,16,20).
What are the key properties of 4-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide?
4-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133455079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).