N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide

C18H22N4O2 — CID 15860605

IUPACN-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide
SMILESCC(C)(NC(=O)c1ccccn1)C(C)(C)NC(=O)c1ccccn1
InChIInChI=1S/C18H22N4O2/c1-17(2,21-15(23)13-9-5-7-11-19-13)18(3,4)22-16(24)14-10-6-8-12-20-14/h5-12H,1-4H3,(H,21,23)(H,22,24)
InChIKeyHBNQRZBDSFEHKK-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.19
Rot. Bonds5

About N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide

N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide (PubChem CID 15860605) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide
PubChem CID15860605
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide
SMILESCC(C)(NC(=O)c1ccccn1)C(C)(C)NC(=O)c1ccccn1
InChIInChI=1S/C18H22N4O2/c1-17(2,21-15(23)13-9-5-7-11-19-13)18(3,4)22-16(24)14-10-6-8-12-20-14/h5-12H,1-4H3,(H,21,23)(H,22,24)
InChIKeyHBNQRZBDSFEHKK-UHFFFAOYSA-N
XLogP2.19
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 39902982
N-(1-amino-2-methyl-1-oxopropan-2-yl)pyridine-2-carboxamide
CID 110475836
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide
CID 103890812
N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide
CID 110444346
N-(1-bromo-2-methylbutan-2-yl)pyridine-2-carboxamide
CID 114314515
N-(1-amino-2-methylbutan-2-yl)pyridine-2-carboxamide
CID 64549265
N-(1-hydroxy-2-phenylpropan-2-yl)pyridine-2-carboxamide
CID 105059023
ethane;pyridine-2-carbonyl chloride
CID 158598971
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
N-methylsulfonylpyridine-2-carboxamide
CID 14952705
N-methylpyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 172678259
tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 47453309

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide (CID 15860605) is N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide is CC(C)(NC(=O)c1ccccn1)C(C)(C)NC(=O)c1ccccn1.
What is the InChIKey of N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide?
The InChIKey is HBNQRZBDSFEHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-17(2,21-15(23)13-9-5-7-11-19-13)18(3,4)22-16(24)14-10-6-8-12-20-14/h5-12H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide?
N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 15860605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).