N-[[5-(4-chloro-1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]formamide

C16H14ClN3O2 — CID 90276968

IUPACN-[[5-(4-chloro-1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]formamide
SMILESCN1C(=O)Cc2c1ccc(-c1cncc(CNC=O)c1)c2Cl
InChIInChI=1S/C16H14ClN3O2/c1-20-14-3-2-12(16(17)13(14)5-15(20)22)11-4-10(6-18-8-11)7-19-9-21/h2-4,6,8-9H,5,7H2,1H3,(H,19,21)
InChIKeyGNVDJQKGMKTLNS-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.17
Rot. Bonds4

About N-[[5-(4-chloro-1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]formamide

N-[[5-(4-chloro-1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]formamide (PubChem CID 90276968) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is N-[[5-(4-chloro-1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]formamide.

Molecular Properties

Compound NameN-[[5-(4-chloro-1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]formamide
PubChem CID90276968
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC NameN-[[5-(4-chloro-1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]formamide
SMILESCN1C(=O)Cc2c1ccc(-c1cncc(CNC=O)c1)c2Cl
InChIInChI=1S/C16H14ClN3O2/c1-20-14-3-2-12(16(17)13(14)5-15(20)22)11-4-10(6-18-8-11)7-19-9-21/h2-4,6,8-9H,5,7H2,1H3,(H,19,21)
InChIKeyGNVDJQKGMKTLNS-UHFFFAOYSA-N
XLogP2.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chloro-1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]formamide?
The IUPAC name of N-[[5-(4-chloro-1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]formamide (CID 90276968) is N-[[5-(4-chloro-1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]formamide.
What is the SMILES notation for N-[[5-(4-chloro-1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]formamide?
The canonical SMILES for N-[[5-(4-chloro-1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]formamide is CN1C(=O)Cc2c1ccc(-c1cncc(CNC=O)c1)c2Cl.
What is the InChIKey of N-[[5-(4-chloro-1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]formamide?
The InChIKey is GNVDJQKGMKTLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-20-14-3-2-12(16(17)13(14)5-15(20)22)11-4-10(6-18-8-11)7-19-9-21/h2-4,6,8-9H,5,7H2,1H3,(H,19,21).
What are the key properties of N-[[5-(4-chloro-1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]formamide?
N-[[5-(4-chloro-1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]formamide has a molecular weight of 315.76 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chloro-1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]formamide is sourced from PubChem (CID 90276968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).