5-[2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethyl]pyridine-2-carboxamide

C22H25N5O — CID 71007644

IUPAC5-[2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethyl]pyridine-2-carboxamide
SMILESCc1cnc2c(c1)c1c(n2CCc2ccc(C(N)=O)nc2)CCN2CCCC12
InChIInChI=1S/C22H25N5O/c1-14-11-16-20-18-3-2-8-26(18)9-7-19(20)27(22(16)25-12-14)10-6-15-4-5-17(21(23)28)24-13-15/h4-5,11-13,18H,2-3,6-10H2,1H3,(H2,23,28)
InChIKeyCMVDYCNAUSIAMA-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.77
Rot. Bonds4

About 5-[2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethyl]pyridine-2-carboxamide

5-[2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethyl]pyridine-2-carboxamide (PubChem CID 71007644) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 5-[2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethyl]pyridine-2-carboxamide
PubChem CID71007644
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name5-[2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethyl]pyridine-2-carboxamide
SMILESCc1cnc2c(c1)c1c(n2CCc2ccc(C(N)=O)nc2)CCN2CCCC12
InChIInChI=1S/C22H25N5O/c1-14-11-16-20-18-3-2-8-26(18)9-7-19(20)27(22(16)25-12-14)10-6-15-4-5-17(21(23)28)24-13-15/h4-5,11-13,18H,2-3,6-10H2,1H3,(H2,23,28)
InChIKeyCMVDYCNAUSIAMA-UHFFFAOYSA-N
XLogP2.77
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-[2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethyl]pyridine-2-carboxamide (CID 71007644) is 5-[2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethyl]pyridine-2-carboxamide is Cc1cnc2c(c1)c1c(n2CCc2ccc(C(N)=O)nc2)CCN2CCCC12.
What is the InChIKey of 5-[2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is CMVDYCNAUSIAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-14-11-16-20-18-3-2-8-26(18)9-7-19(20)27(22(16)25-12-14)10-6-15-4-5-17(21(23)28)24-13-15/h4-5,11-13,18H,2-3,6-10H2,1H3,(H2,23,28).
What are the key properties of 5-[2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethyl]pyridine-2-carboxamide?
5-[2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 71007644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).