N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindol-1-yl)methyl]pyridine-4-carboxamide

C23H22ClN5O — CID 135131502

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindol-1-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cn2ccc3cc(Cl)ccc32)c1
InChIInChI=1S/C23H22ClN5O/c1-14-9-22(25)28-15(2)20(14)12-27-23(30)17-5-7-26-19(11-17)13-29-8-6-16-10-18(24)3-4-21(16)29/h3-11H,12-13H2,1-2H3,(H2,25,28)(H,27,30)
InChIKeySHEVSFKZVQPYGB-UHFFFAOYSA-N
MW419.92 g/mol
LogP4.26
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindol-1-yl)methyl]pyridine-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindol-1-yl)methyl]pyridine-4-carboxamide (PubChem CID 135131502) has the molecular formula C23H22ClN5O and a molecular weight of 419.92 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindol-1-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindol-1-yl)methyl]pyridine-4-carboxamide
PubChem CID135131502
Molecular FormulaC23H22ClN5O
Molecular Weight419.92 g/mol
Exact Mass419.15
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindol-1-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cn2ccc3cc(Cl)ccc32)c1
InChIInChI=1S/C23H22ClN5O/c1-14-9-22(25)28-15(2)20(14)12-27-23(30)17-5-7-26-19(11-17)13-29-8-6-16-10-18(24)3-4-21(16)29/h3-11H,12-13H2,1-2H3,(H2,25,28)(H,27,30)
InChIKeySHEVSFKZVQPYGB-UHFFFAOYSA-N
XLogP4.26
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindol-1-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindol-1-yl)methyl]pyridine-4-carboxamide (CID 135131502) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindol-1-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindol-1-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindol-1-yl)methyl]pyridine-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cn2ccc3cc(Cl)ccc32)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindol-1-yl)methyl]pyridine-4-carboxamide?
The InChIKey is SHEVSFKZVQPYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O/c1-14-9-22(25)28-15(2)20(14)12-27-23(30)17-5-7-26-19(11-17)13-29-8-6-16-10-18(24)3-4-21(16)29/h3-11H,12-13H2,1-2H3,(H2,25,28)(H,27,30).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindol-1-yl)methyl]pyridine-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindol-1-yl)methyl]pyridine-4-carboxamide has a molecular weight of 419.92 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindol-1-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 135131502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).