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

C23H22ClN5O — CID 118665371

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3[nH]cc(Cl)c3c2)c1
InChIInChI=1S/C23H22ClN5O/c1-13-7-22(25)29-14(2)19(13)11-28-23(30)16-5-6-26-17(10-16)8-15-3-4-21-18(9-15)20(24)12-27-21/h3-7,9-10,12,27H,8,11H2,1-2H3,(H2,25,29)(H,28,30)
InChIKeyWGAUJZUEMJFDBD-UHFFFAOYSA-N
MW419.92 g/mol
LogP4.33
Rot. Bonds5

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide (PubChem CID 118665371) 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-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide
PubChem CID118665371
Molecular FormulaC23H22ClN5O
Molecular Weight419.92 g/mol
Exact Mass419.15
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3[nH]cc(Cl)c3c2)c1
InChIInChI=1S/C23H22ClN5O/c1-13-7-22(25)29-14(2)19(13)11-28-23(30)16-5-6-26-17(10-16)8-15-3-4-21-18(9-15)20(24)12-27-21/h3-7,9-10,12,27H,8,11H2,1-2H3,(H2,25,29)(H,28,30)
InChIKeyWGAUJZUEMJFDBD-UHFFFAOYSA-N
XLogP4.33
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide (CID 118665371) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3[nH]cc(Cl)c3c2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide?
The InChIKey is WGAUJZUEMJFDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O/c1-13-7-22(25)29-14(2)19(13)11-28-23(30)16-5-6-26-17(10-16)8-15-3-4-21-18(9-15)20(24)12-27-21/h3-7,9-10,12,27H,8,11H2,1-2H3,(H2,25,29)(H,28,30).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide has a molecular weight of 419.92 g/mol, XLogP of 4.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118665371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).