2-(4-methyl-1,4-diazepan-1-yl)-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide

C23H25N9O — CID 138586731

IUPAC2-(4-methyl-1,4-diazepan-1-yl)-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
SMILESCN1CCCN(c2cc(C(=O)Nc3cc4cc(-c5cn(C)nn5)cnc4cn3)ccn2)CC1
InChIInChI=1S/C23H25N9O/c1-30-6-3-7-32(9-8-30)22-12-16(4-5-24-22)23(33)27-21-11-17-10-18(13-25-19(17)14-26-21)20-15-31(2)29-28-20/h4-5,10-15H,3,6-9H2,1-2H3,(H,26,27,33)
InChIKeyRBWFRJKKEBNIIU-UHFFFAOYSA-N
MW443.52 g/mol
LogP2.21
Rot. Bonds4

About 2-(4-methyl-1,4-diazepan-1-yl)-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide

2-(4-methyl-1,4-diazepan-1-yl)-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide (PubChem CID 138586731) has the molecular formula C23H25N9O and a molecular weight of 443.52 g/mol. Its IUPAC name is 2-(4-methyl-1,4-diazepan-1-yl)-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methyl-1,4-diazepan-1-yl)-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
PubChem CID138586731
Molecular FormulaC23H25N9O
Molecular Weight443.52 g/mol
Exact Mass443.22
IUPAC Name2-(4-methyl-1,4-diazepan-1-yl)-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
SMILESCN1CCCN(c2cc(C(=O)Nc3cc4cc(-c5cn(C)nn5)cnc4cn3)ccn2)CC1
InChIInChI=1S/C23H25N9O/c1-30-6-3-7-32(9-8-30)22-12-16(4-5-24-22)23(33)27-21-11-17-10-18(13-25-19(17)14-26-21)20-15-31(2)29-28-20/h4-5,10-15H,3,6-9H2,1-2H3,(H,26,27,33)
InChIKeyRBWFRJKKEBNIIU-UHFFFAOYSA-N
XLogP2.21
TPSA104.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-[3-(1-methylpyrazol-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138587897
N-[3-[6-(dimethylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138590492
N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-2-[4-(trideuteriomethyl)piperazin-1-yl]pyridine-4-carboxamide
CID 138591723
N-[3-(2-amino-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138589244
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590044
2-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138590737
2-(4-aminopiperidin-1-yl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138587956
2-[4,4-bis(trideuteriomethyl)piperazin-4-ium-1-yl]-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138589569
N-[6-(5-amino-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138586311
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]ethanone
CID 147183577
N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide
CID 138586828
2-(4-methylpiperazin-1-yl)-N-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,6-naphthyridin-7-yl]pyridine-4-carboxamide
CID 138590297

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide (CID 138586731) is 2-(4-methyl-1,4-diazepan-1-yl)-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-methyl-1,4-diazepan-1-yl)-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(4-methyl-1,4-diazepan-1-yl)-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide is CN1CCCN(c2cc(C(=O)Nc3cc4cc(-c5cn(C)nn5)cnc4cn3)ccn2)CC1.
What is the InChIKey of 2-(4-methyl-1,4-diazepan-1-yl)-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide?
The InChIKey is RBWFRJKKEBNIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9O/c1-30-6-3-7-32(9-8-30)22-12-16(4-5-24-22)23(33)27-21-11-17-10-18(13-25-19(17)14-26-21)20-15-31(2)29-28-20/h4-5,10-15H,3,6-9H2,1-2H3,(H,26,27,33).
What are the key properties of 2-(4-methyl-1,4-diazepan-1-yl)-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide?
2-(4-methyl-1,4-diazepan-1-yl)-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide has a molecular weight of 443.52 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,4-diazepan-1-yl)-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide is sourced from PubChem (CID 138586731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).