N-[(1S)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]pyridine-4-carboxamide

C19H20N6O2 — CID 92597447

IUPACN-[(1S)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]pyridine-4-carboxamide
SMILESCc1oc2ncn3nc([C@@H](NC(=O)c4ccncc4)C(C)C)nc3c2c1C
InChIInChI=1S/C19H20N6O2/c1-10(2)15(22-18(26)13-5-7-20-8-6-13)16-23-17-14-11(3)12(4)27-19(14)21-9-25(17)24-16/h5-10,15H,1-4H3,(H,22,26)/t15-/m0/s1
InChIKeyOGJCAYHWYIFHSP-HNNXBMFYSA-N
MW364.41 g/mol
LogP3.01
Rot. Bonds4

About N-[(1S)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]pyridine-4-carboxamide

N-[(1S)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]pyridine-4-carboxamide (PubChem CID 92597447) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[(1S)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]pyridine-4-carboxamide
PubChem CID92597447
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-[(1S)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]pyridine-4-carboxamide
SMILESCc1oc2ncn3nc([C@@H](NC(=O)c4ccncc4)C(C)C)nc3c2c1C
InChIInChI=1S/C19H20N6O2/c1-10(2)15(22-18(26)13-5-7-20-8-6-13)16-23-17-14-11(3)12(4)27-19(14)21-9-25(17)24-16/h5-10,15H,1-4H3,(H,22,26)/t15-/m0/s1
InChIKeyOGJCAYHWYIFHSP-HNNXBMFYSA-N
XLogP3.01
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1S)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]pyridine-4-carboxamide (CID 92597447) is N-[(1S)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]pyridine-4-carboxamide is Cc1oc2ncn3nc([C@@H](NC(=O)c4ccncc4)C(C)C)nc3c2c1C.
What is the InChIKey of N-[(1S)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]pyridine-4-carboxamide?
The InChIKey is OGJCAYHWYIFHSP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-10(2)15(22-18(26)13-5-7-20-8-6-13)16-23-17-14-11(3)12(4)27-19(14)21-9-25(17)24-16/h5-10,15H,1-4H3,(H,22,26)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]pyridine-4-carboxamide?
N-[(1S)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]pyridine-4-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)-2-methylpropyl]pyridine-4-carboxamide is sourced from PubChem (CID 92597447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).