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

C23H24N6O — CID 118665436

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxamide
SMILESCc1ccc2c(cnn2Cc2cc(C(=O)NCc3c(C)cc(N)nc3C)ccn2)c1
InChIInChI=1S/C23H24N6O/c1-14-4-5-21-18(8-14)11-27-29(21)13-19-10-17(6-7-25-19)23(30)26-12-20-15(2)9-22(24)28-16(20)3/h4-11H,12-13H2,1-3H3,(H2,24,28)(H,26,30)
InChIKeyPJQHDAQZXYWCRS-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.31
Rot. Bonds5

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxamide (PubChem CID 118665436) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxamide
PubChem CID118665436
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxamide
SMILESCc1ccc2c(cnn2Cc2cc(C(=O)NCc3c(C)cc(N)nc3C)ccn2)c1
InChIInChI=1S/C23H24N6O/c1-14-4-5-21-18(8-14)11-27-29(21)13-19-10-17(6-7-25-19)23(30)26-12-20-15(2)9-22(24)28-16(20)3/h4-11H,12-13H2,1-3H3,(H2,24,28)(H,26,30)
InChIKeyPJQHDAQZXYWCRS-UHFFFAOYSA-N
XLogP3.31
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxamide (CID 118665436) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxamide is Cc1ccc2c(cnn2Cc2cc(C(=O)NCc3c(C)cc(N)nc3C)ccn2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxamide?
The InChIKey is PJQHDAQZXYWCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-14-4-5-21-18(8-14)11-27-29(21)13-19-10-17(6-7-25-19)23(30)26-12-20-15(2)9-22(24)28-16(20)3/h4-11H,12-13H2,1-3H3,(H2,24,28)(H,26,30).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-1-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118665436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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