6-(2-methylprop-2-enylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide

C16H21N5O2 — CID 29026517

IUPAC6-(2-methylprop-2-enylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
SMILESC=C(C)CNc1ccc(C(=O)NCc2noc(C(C)C)n2)cn1
InChIInChI=1S/C16H21N5O2/c1-10(2)7-17-13-6-5-12(8-18-13)15(22)19-9-14-20-16(11(3)4)23-21-14/h5-6,8,11H,1,7,9H2,2-4H3,(H,17,18)(H,19,22)
InChIKeyGIGWNKCRJRMTDZ-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.51
Rot. Bonds7

About 6-(2-methylprop-2-enylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide

6-(2-methylprop-2-enylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 29026517) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-(2-methylprop-2-enylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methylprop-2-enylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
PubChem CID29026517
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name6-(2-methylprop-2-enylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
SMILESC=C(C)CNc1ccc(C(=O)NCc2noc(C(C)C)n2)cn1
InChIInChI=1S/C16H21N5O2/c1-10(2)7-17-13-6-5-12(8-18-13)15(22)19-9-14-20-16(11(3)4)23-21-14/h5-6,8,11H,1,7,9H2,2-4H3,(H,17,18)(H,19,22)
InChIKeyGIGWNKCRJRMTDZ-UHFFFAOYSA-N
XLogP2.51
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 95211677
6-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 56753867
N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-pyridin-4-ylpropan-2-ylamino)pyridine-3-carboxamide
CID 56745853
6-(azepan-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 26391523
6-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 95214109
6-(3,4-dimethylpiperazin-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 56760533
6-[4-(2-hydroxyethyl)piperidin-1-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 56743777
N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-indazole-3-carboxamide
CID 86285787
2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 50755040
2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]acetic acid
CID 61497413
4-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 4233230
N-(2-methylbutyl)-6-(propylamino)pyridine-3-carboxamide
CID 62693585

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylprop-2-enylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2-methylprop-2-enylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide (CID 29026517) is 6-(2-methylprop-2-enylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-methylprop-2-enylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-methylprop-2-enylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide is C=C(C)CNc1ccc(C(=O)NCc2noc(C(C)C)n2)cn1.
What is the InChIKey of 6-(2-methylprop-2-enylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is GIGWNKCRJRMTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10(2)7-17-13-6-5-12(8-18-13)15(22)19-9-14-20-16(11(3)4)23-21-14/h5-6,8,11H,1,7,9H2,2-4H3,(H,17,18)(H,19,22).
What are the key properties of 6-(2-methylprop-2-enylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?
6-(2-methylprop-2-enylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylprop-2-enylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 29026517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).