N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide

C15H21N3O3 — CID 71938899

IUPACN-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(NCC1COCCO1)N1CCCC1c1ccncc1
InChIInChI=1S/C15H21N3O3/c19-15(17-10-13-11-20-8-9-21-13)18-7-1-2-14(18)12-3-5-16-6-4-12/h3-6,13-14H,1-2,7-11H2,(H,17,19)
InChIKeyDARXUCVRILKPOJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.34
Rot. Bonds3

About N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide

N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 71938899) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID71938899
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(NCC1COCCO1)N1CCCC1c1ccncc1
InChIInChI=1S/C15H21N3O3/c19-15(17-10-13-11-20-8-9-21-13)18-7-1-2-14(18)12-3-5-16-6-4-12/h3-6,13-14H,1-2,7-11H2,(H,17,19)
InChIKeyDARXUCVRILKPOJ-UHFFFAOYSA-N
XLogP1.34
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94663416
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 87007306
(2S)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94058768
2-cyclohexyl-N-(1,4-dioxan-2-ylmethyl)pyrrolidine-1-carboxamide
CID 71938909
N-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 47022403
(2R)-2-(cyclohexylmethyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-1-carboxamide
CID 99787980
2-pyridin-4-yl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide
CID 51084887
methyl 1-[[[(2R)-2-pyridin-4-ylpyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 124616958
(2S)-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 124831990
(2R)-N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 52512945
(2R)-N-(3-morpholin-4-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94655019
3-[1-(1,4-dioxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62216383

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide (CID 71938899) is N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide is O=C(NCC1COCCO1)N1CCCC1c1ccncc1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is DARXUCVRILKPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-15(17-10-13-11-20-8-9-21-13)18-7-1-2-14(18)12-3-5-16-6-4-12/h3-6,13-14H,1-2,7-11H2,(H,17,19).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 71938899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).