9-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide

C17H19ClN4O2 — CID 75600401

IUPAC9-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
SMILESCC(C)(CO)NC(=O)c1nn(-c2ccc(Cl)cn2)c2c1CC1CC21
InChIInChI=1S/C17H19ClN4O2/c1-17(2,8-23)20-16(24)14-12-6-9-5-11(9)15(12)22(21-14)13-4-3-10(18)7-19-13/h3-4,7,9,11,23H,5-6,8H2,1-2H3,(H,20,24)
InChIKeyPWGWXPBOPHDDIR-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.08
Rot. Bonds4

About 9-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide

9-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide (PubChem CID 75600401) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 9-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide.

Molecular Properties

Compound Name9-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
PubChem CID75600401
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name9-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
SMILESCC(C)(CO)NC(=O)c1nn(-c2ccc(Cl)cn2)c2c1CC1CC21
InChIInChI=1S/C17H19ClN4O2/c1-17(2,8-23)20-16(24)14-12-6-9-5-11(9)15(12)22(21-14)13-4-3-10(18)7-19-13/h3-4,7,9,11,23H,5-6,8H2,1-2H3,(H,20,24)
InChIKeyPWGWXPBOPHDDIR-UHFFFAOYSA-N
XLogP2.08
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The IUPAC name of 9-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide (CID 75600401) is 9-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide.
What is the SMILES notation for 9-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The canonical SMILES for 9-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide is CC(C)(CO)NC(=O)c1nn(-c2ccc(Cl)cn2)c2c1CC1CC21.
What is the InChIKey of 9-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The InChIKey is PWGWXPBOPHDDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-17(2,8-23)20-16(24)14-12-6-9-5-11(9)15(12)22(21-14)13-4-3-10(18)7-19-13/h3-4,7,9,11,23H,5-6,8H2,1-2H3,(H,20,24).
What are the key properties of 9-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
9-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide is sourced from PubChem (CID 75600401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).