N-(6-chloro-5-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C15H20ClN3O — CID 103796996

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCc1cc(NC(=O)C2CC3CCCCC3N2)cnc1Cl
InChIInChI=1S/C15H20ClN3O/c1-9-6-11(8-17-14(9)16)18-15(20)13-7-10-4-2-3-5-12(10)19-13/h6,8,10,12-13,19H,2-5,7H2,1H3,(H,18,20)
InChIKeyPFNPNRCYEBCPKS-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.90
Rot. Bonds2

About N-(6-chloro-5-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-(6-chloro-5-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 103796996) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID103796996
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCc1cc(NC(=O)C2CC3CCCCC3N2)cnc1Cl
InChIInChI=1S/C15H20ClN3O/c1-9-6-11(8-17-14(9)16)18-15(20)13-7-10-4-2-3-5-12(10)19-13/h6,8,10,12-13,19H,2-5,7H2,1H3,(H,18,20)
InChIKeyPFNPNRCYEBCPKS-UHFFFAOYSA-N
XLogP2.90
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 103796996) is N-(6-chloro-5-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is Cc1cc(NC(=O)C2CC3CCCCC3N2)cnc1Cl.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is PFNPNRCYEBCPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-9-6-11(8-17-14(9)16)18-15(20)13-7-10-4-2-3-5-12(10)19-13/h6,8,10,12-13,19H,2-5,7H2,1H3,(H,18,20).
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-(6-chloro-5-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 293.80 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 103796996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).