3-(1-adamantylcarbamoylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide

C22H28N6O3 — CID 78839020

IUPAC3-(1-adamantylcarbamoylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESO=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NCc1nc(-c2ccncc2)no1
InChIInChI=1S/C22H28N6O3/c29-18(25-13-19-26-20(28-31-19)17-1-4-23-5-2-17)3-6-24-21(30)27-22-10-14-7-15(11-22)9-16(8-14)12-22/h1-2,4-5,14-16H,3,6-13H2,(H,25,29)(H2,24,27,30)
InChIKeyWUWVUGLBUJWUJE-UHFFFAOYSA-N
MW424.51 g/mol
LogP2.41
Rot. Bonds7

About 3-(1-adamantylcarbamoylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide

3-(1-adamantylcarbamoylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide (PubChem CID 78839020) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is 3-(1-adamantylcarbamoylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(1-adamantylcarbamoylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
PubChem CID78839020
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC Name3-(1-adamantylcarbamoylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESO=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NCc1nc(-c2ccncc2)no1
InChIInChI=1S/C22H28N6O3/c29-18(25-13-19-26-20(28-31-19)17-1-4-23-5-2-17)3-6-24-21(30)27-22-10-14-7-15(11-22)9-16(8-14)12-22/h1-2,4-5,14-16H,3,6-13H2,(H,25,29)(H2,24,27,30)
InChIKeyWUWVUGLBUJWUJE-UHFFFAOYSA-N
XLogP2.41
TPSA122.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid
CID 69190964
3-(2,4-dimethylphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 134043007
tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 56770463
cis-(1S,3R)-2,2-dimethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 95859031
3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide
CID 74251066
3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 71668568
3-(3-methoxyphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 134051001
(2R)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119840711
2-[4-(difluoromethoxy)phenyl]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 134042975
N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 134046040
N-(1,3-benzodioxol-5-ylmethyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17440928
1-cyclopropyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 43655500

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylcarbamoylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The IUPAC name of 3-(1-adamantylcarbamoylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide (CID 78839020) is 3-(1-adamantylcarbamoylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-(1-adamantylcarbamoylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-(1-adamantylcarbamoylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide is O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NCc1nc(-c2ccncc2)no1.
What is the InChIKey of 3-(1-adamantylcarbamoylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The InChIKey is WUWVUGLBUJWUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c29-18(25-13-19-26-20(28-31-19)17-1-4-23-5-2-17)3-6-24-21(30)27-22-10-14-7-15(11-22)9-16(8-14)12-22/h1-2,4-5,14-16H,3,6-13H2,(H,25,29)(H2,24,27,30).
What are the key properties of 3-(1-adamantylcarbamoylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
3-(1-adamantylcarbamoylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide has a molecular weight of 424.51 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylcarbamoylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 78839020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).