N-(2-pyridin-3-ylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C16H14N4O — CID 161181421

IUPACN-(2-pyridin-3-ylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC(C)(NC(=O)C1=C2C=C3CC3=C2N=N1)c1cccnc1
InChIInChI=1S/C16H14N4O/c1-16(2,10-4-3-5-17-8-10)18-15(21)14-12-7-9-6-11(9)13(12)19-20-14/h3-5,7-8H,6H2,1-2H3,(H,18,21)
InChIKeyUSMXJEPZHSECEP-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.75
Rot. Bonds3

About N-(2-pyridin-3-ylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-(2-pyridin-3-ylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 161181421) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(2-pyridin-3-ylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-3-ylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID161181421
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-(2-pyridin-3-ylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC(C)(NC(=O)C1=C2C=C3CC3=C2N=N1)c1cccnc1
InChIInChI=1S/C16H14N4O/c1-16(2,10-4-3-5-17-8-10)18-15(21)14-12-7-9-6-11(9)13(12)19-20-14/h3-5,7-8H,6H2,1-2H3,(H,18,21)
InChIKeyUSMXJEPZHSECEP-UHFFFAOYSA-N
XLogP2.75
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyridin-3-ylpropan-2-yl)pyridine-3-carboxamide
CID 110870312
2-bromo-N-(2-pyridin-3-ylpropan-2-yl)benzamide
CID 110870294
N-(2-phenylpropan-2-yl)pyridine-3-carboxamide
CID 47444755
N-[2-(6-methoxy-3-pyridinyl)propan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141293052
methyl 2-methyl-2-pyridin-3-ylpropanoate
CID 54537815
N-[2-(4-methoxyphenyl)propan-2-yl]pyridine-3-carboxamide
CID 110442879
(3R)-3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 7200717
3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 4912937
methyl 2-bromo-2-pyridin-3-ylpropanoate
CID 22902516
2-(methylamino)-2-pyridin-3-ylpropanoic acid
CID 43753628
N-(2-methyl-2-pyridin-3-ylpropyl)-3-sulfanylpropanamide
CID 115168144
N-(pyridin-3-ylmethyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292896

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-(2-pyridin-3-ylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 161181421) is N-(2-pyridin-3-ylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-(2-pyridin-3-ylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-(2-pyridin-3-ylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is CC(C)(NC(=O)C1=C2C=C3CC3=C2N=N1)c1cccnc1.
What is the InChIKey of N-(2-pyridin-3-ylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is USMXJEPZHSECEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-16(2,10-4-3-5-17-8-10)18-15(21)14-12-7-9-6-11(9)13(12)19-20-14/h3-5,7-8H,6H2,1-2H3,(H,18,21).
What are the key properties of N-(2-pyridin-3-ylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-(2-pyridin-3-ylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-ylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 161181421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).