4-[3-[(2-methylpropanoylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide

C16H24N4O2 — CID 133469712

IUPAC4-[3-[(2-methylpropanoylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)C(=O)NCC1CCCN(c2ccncc2C(N)=O)C1
InChIInChI=1S/C16H24N4O2/c1-11(2)16(22)19-8-12-4-3-7-20(10-12)14-5-6-18-9-13(14)15(17)21/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H2,17,21)(H,19,22)
InChIKeyOPPZGOCOYSAHQJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.17
Rot. Bonds5

About 4-[3-[(2-methylpropanoylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide

4-[3-[(2-methylpropanoylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 133469712) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-[3-[(2-methylpropanoylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[3-[(2-methylpropanoylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID133469712
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name4-[3-[(2-methylpropanoylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)C(=O)NCC1CCCN(c2ccncc2C(N)=O)C1
InChIInChI=1S/C16H24N4O2/c1-11(2)16(22)19-8-12-4-3-7-20(10-12)14-5-6-18-9-13(14)15(17)21/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H2,17,21)(H,19,22)
InChIKeyOPPZGOCOYSAHQJ-UHFFFAOYSA-N
XLogP1.17
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 81232474
4-[3-(azepan-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133470685
4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133470476
4-(4-tert-butylazepan-1-yl)pyridine-3-carboxamide
CID 133471382
4-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide
CID 133455079
2-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 106814280
4-[3-(1,3-thiazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133469453
2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 63241496
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133442574
4-[4-(3-methylbutan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
CID 133469351
4-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxamide
CID 133442039
2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide
CID 55167908

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-methylpropanoylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 4-[3-[(2-methylpropanoylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide (CID 133469712) is 4-[3-[(2-methylpropanoylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[3-[(2-methylpropanoylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-[3-[(2-methylpropanoylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide is CC(C)C(=O)NCC1CCCN(c2ccncc2C(N)=O)C1.
What is the InChIKey of 4-[3-[(2-methylpropanoylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is OPPZGOCOYSAHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11(2)16(22)19-8-12-4-3-7-20(10-12)14-5-6-18-9-13(14)15(17)21/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H2,17,21)(H,19,22).
What are the key properties of 4-[3-[(2-methylpropanoylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide?
4-[3-[(2-methylpropanoylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-methylpropanoylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133469712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).