N-[5-[5-[C-[4-(3-chlorophenyl)-1H-indol-2-yl]-N-propylcarbonimidoyl]-6-methyl-3-pyridinyl]-2-pyridinyl]propanamide

C32H30ClN5O — CID 137087774

IUPACN-[5-[5-[C-[4-(3-chlorophenyl)-1H-indol-2-yl]-N-propylcarbonimidoyl]-6-methyl-3-pyridinyl]-2-pyridinyl]propanamide
SMILESCCC/N=C(/c1cc2c(-c3cccc(Cl)c3)cccc2[nH]1)c1cc(-c2ccc(NC(=O)CC)nc2)cnc1C
InChIInChI=1S/C32H30ClN5O/c1-4-14-34-32(29-17-27-25(10-7-11-28(27)37-29)21-8-6-9-24(33)15-21)26-16-23(19-35-20(26)3)22-12-13-30(36-18-22)38-31(39)5-2/h6-13,15-19,37H,4-5,14H2,1-3H3,(H,36,38,39)/b34-32+
InChIKeyGGFNLKQXVBCTGX-NWBJSICCSA-N
MW536.08 g/mol
LogP7.85
Rot. Bonds8

About N-[5-[5-[C-[4-(3-chlorophenyl)-1H-indol-2-yl]-N-propylcarbonimidoyl]-6-methyl-3-pyridinyl]-2-pyridinyl]propanamide

N-[5-[5-[C-[4-(3-chlorophenyl)-1H-indol-2-yl]-N-propylcarbonimidoyl]-6-methyl-3-pyridinyl]-2-pyridinyl]propanamide (PubChem CID 137087774) has the molecular formula C32H30ClN5O and a molecular weight of 536.08 g/mol. Its IUPAC name is N-[5-[5-[C-[4-(3-chlorophenyl)-1H-indol-2-yl]-N-propylcarbonimidoyl]-6-methyl-3-pyridinyl]-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-[5-[C-[4-(3-chlorophenyl)-1H-indol-2-yl]-N-propylcarbonimidoyl]-6-methyl-3-pyridinyl]-2-pyridinyl]propanamide
PubChem CID137087774
Molecular FormulaC32H30ClN5O
Molecular Weight536.08 g/mol
Exact Mass535.21
IUPAC NameN-[5-[5-[C-[4-(3-chlorophenyl)-1H-indol-2-yl]-N-propylcarbonimidoyl]-6-methyl-3-pyridinyl]-2-pyridinyl]propanamide
SMILESCCC/N=C(/c1cc2c(-c3cccc(Cl)c3)cccc2[nH]1)c1cc(-c2ccc(NC(=O)CC)nc2)cnc1C
InChIInChI=1S/C32H30ClN5O/c1-4-14-34-32(29-17-27-25(10-7-11-28(27)37-29)21-8-6-9-24(33)15-21)26-16-23(19-35-20(26)3)22-12-13-30(36-18-22)38-31(39)5-2/h6-13,15-19,37H,4-5,14H2,1-3H3,(H,36,38,39)/b34-32+
InChIKeyGGFNLKQXVBCTGX-NWBJSICCSA-N
XLogP7.85
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.08
LogP ≤ 57.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[C-[4-(3-chlorophenyl)-1H-indol-2-yl]-N-propylcarbonimidoyl]-6-methyl-3-pyridinyl]-2-pyridinyl]propanamide?
The IUPAC name of N-[5-[5-[C-[4-(3-chlorophenyl)-1H-indol-2-yl]-N-propylcarbonimidoyl]-6-methyl-3-pyridinyl]-2-pyridinyl]propanamide (CID 137087774) is N-[5-[5-[C-[4-(3-chlorophenyl)-1H-indol-2-yl]-N-propylcarbonimidoyl]-6-methyl-3-pyridinyl]-2-pyridinyl]propanamide.
What is the SMILES notation for N-[5-[5-[C-[4-(3-chlorophenyl)-1H-indol-2-yl]-N-propylcarbonimidoyl]-6-methyl-3-pyridinyl]-2-pyridinyl]propanamide?
The canonical SMILES for N-[5-[5-[C-[4-(3-chlorophenyl)-1H-indol-2-yl]-N-propylcarbonimidoyl]-6-methyl-3-pyridinyl]-2-pyridinyl]propanamide is CCC/N=C(/c1cc2c(-c3cccc(Cl)c3)cccc2[nH]1)c1cc(-c2ccc(NC(=O)CC)nc2)cnc1C.
What is the InChIKey of N-[5-[5-[C-[4-(3-chlorophenyl)-1H-indol-2-yl]-N-propylcarbonimidoyl]-6-methyl-3-pyridinyl]-2-pyridinyl]propanamide?
The InChIKey is GGFNLKQXVBCTGX-NWBJSICCSA-N. The full InChI is InChI=1S/C32H30ClN5O/c1-4-14-34-32(29-17-27-25(10-7-11-28(27)37-29)21-8-6-9-24(33)15-21)26-16-23(19-35-20(26)3)22-12-13-30(36-18-22)38-31(39)5-2/h6-13,15-19,37H,4-5,14H2,1-3H3,(H,36,38,39)/b34-32+.
What are the key properties of N-[5-[5-[C-[4-(3-chlorophenyl)-1H-indol-2-yl]-N-propylcarbonimidoyl]-6-methyl-3-pyridinyl]-2-pyridinyl]propanamide?
N-[5-[5-[C-[4-(3-chlorophenyl)-1H-indol-2-yl]-N-propylcarbonimidoyl]-6-methyl-3-pyridinyl]-2-pyridinyl]propanamide has a molecular weight of 536.08 g/mol, XLogP of 7.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[C-[4-(3-chlorophenyl)-1H-indol-2-yl]-N-propylcarbonimidoyl]-6-methyl-3-pyridinyl]-2-pyridinyl]propanamide is sourced from PubChem (CID 137087774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).