N-cyclopropyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine-4-carboxamide

C20H24N4O2 — CID 72876721

IUPACN-cyclopropyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine-4-carboxamide
SMILESO=C(NC1CC1)c1ccnc(N2CCCC(OCc3cccnc3)C2)c1
InChIInChI=1S/C20H24N4O2/c25-20(23-17-5-6-17)16-7-9-22-19(11-16)24-10-2-4-18(13-24)26-14-15-3-1-8-21-12-15/h1,3,7-9,11-12,17-18H,2,4-6,10,13-14H2,(H,23,25)
InChIKeyRGLXMGPXYUGMIG-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.55
Rot. Bonds6

About N-cyclopropyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine-4-carboxamide

N-cyclopropyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine-4-carboxamide (PubChem CID 72876721) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine-4-carboxamide
PubChem CID72876721
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-cyclopropyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine-4-carboxamide
SMILESO=C(NC1CC1)c1ccnc(N2CCCC(OCc3cccnc3)C2)c1
InChIInChI=1S/C20H24N4O2/c25-20(23-17-5-6-17)16-7-9-22-19(11-16)24-10-2-4-18(13-24)26-14-15-3-1-8-21-12-15/h1,3,7-9,11-12,17-18H,2,4-6,10,13-14H2,(H,23,25)
InChIKeyRGLXMGPXYUGMIG-UHFFFAOYSA-N
XLogP2.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-4-pyridinyl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70710793
5-(methylsulfanylmethyl)-2-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine
CID 96574780
4-methyl-6-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-2-amine
CID 39817678
[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 125009158
[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone
CID 96582328
2-(3-ethoxypiperidin-1-yl)pyridine-4-carbothioamide
CID 54990298
(5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 96577943
(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 176500396
N-cyclopropyl-2-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 95216572
(3-phenylmethoxypiperidin-1-yl)-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 74240317
N,N,5-trimethyl-2-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine
CID 95128247
[3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70758176

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine-4-carboxamide (CID 72876721) is N-cyclopropyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine-4-carboxamide is O=C(NC1CC1)c1ccnc(N2CCCC(OCc3cccnc3)C2)c1.
What is the InChIKey of N-cyclopropyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is RGLXMGPXYUGMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-20(23-17-5-6-17)16-7-9-22-19(11-16)24-10-2-4-18(13-24)26-14-15-3-1-8-21-12-15/h1,3,7-9,11-12,17-18H,2,4-6,10,13-14H2,(H,23,25).
What are the key properties of N-cyclopropyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine-4-carboxamide?
N-cyclopropyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 72876721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).