(2-methyl-3-pyridinyl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone

C19H19N5O — CID 110215069

IUPAC(2-methyl-3-pyridinyl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone
SMILESCc1cc2ncc3c(n2n1)CC1CCC3N1C(=O)c1cccnc1C
InChIInChI=1S/C19H19N5O/c1-11-8-18-21-10-15-16-6-5-13(9-17(15)24(18)22-11)23(16)19(25)14-4-3-7-20-12(14)2/h3-4,7-8,10,13,16H,5-6,9H2,1-2H3
InChIKeyWBACHGUNOLETIC-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.64
Rot. Bonds1

About (2-methyl-3-pyridinyl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone

(2-methyl-3-pyridinyl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone (PubChem CID 110215069) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is (2-methyl-3-pyridinyl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone.

Molecular Properties

Compound Name(2-methyl-3-pyridinyl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone
PubChem CID110215069
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name(2-methyl-3-pyridinyl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone
SMILESCc1cc2ncc3c(n2n1)CC1CCC3N1C(=O)c1cccnc1C
InChIInChI=1S/C19H19N5O/c1-11-8-18-21-10-15-16-6-5-13(9-17(15)24(18)22-11)23(16)19(25)14-4-3-7-20-12(14)2/h3-4,7-8,10,13,16H,5-6,9H2,1-2H3
InChIKeyWBACHGUNOLETIC-UHFFFAOYSA-N
XLogP2.64
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-methyl-3-pyridinyl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-pyridinyl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone?
The IUPAC name of (2-methyl-3-pyridinyl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone (CID 110215069) is (2-methyl-3-pyridinyl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone.
What is the SMILES notation for (2-methyl-3-pyridinyl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone?
The canonical SMILES for (2-methyl-3-pyridinyl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone is Cc1cc2ncc3c(n2n1)CC1CCC3N1C(=O)c1cccnc1C.
What is the InChIKey of (2-methyl-3-pyridinyl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone?
The InChIKey is WBACHGUNOLETIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-11-8-18-21-10-15-16-6-5-13(9-17(15)24(18)22-11)23(16)19(25)14-4-3-7-20-12(14)2/h3-4,7-8,10,13,16H,5-6,9H2,1-2H3.
What are the key properties of (2-methyl-3-pyridinyl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone?
(2-methyl-3-pyridinyl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone has a molecular weight of 333.40 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-pyridinyl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone is sourced from PubChem (CID 110215069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).