N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-5-(piperidin-4-ylamino)pyridine-3-carboxamide

C23H24N8O — CID 138589617

IUPACN-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-5-(piperidin-4-ylamino)pyridine-3-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)c4cncc(NC5CCNCC5)c4)cc3n2)cn1
InChIInChI=1S/C23H24N8O/c1-31-14-17(12-27-31)20-3-2-15-11-26-22(9-21(15)29-20)30-23(32)16-8-19(13-25-10-16)28-18-4-6-24-7-5-18/h2-3,8-14,18,24,28H,4-7H2,1H3,(H,26,30,32)
InChIKeyVLXHWRWKVMKKII-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.84
Rot. Bonds5

About N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-5-(piperidin-4-ylamino)pyridine-3-carboxamide

N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-5-(piperidin-4-ylamino)pyridine-3-carboxamide (PubChem CID 138589617) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-5-(piperidin-4-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-5-(piperidin-4-ylamino)pyridine-3-carboxamide
PubChem CID138589617
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC NameN-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-5-(piperidin-4-ylamino)pyridine-3-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)c4cncc(NC5CCNCC5)c4)cc3n2)cn1
InChIInChI=1S/C23H24N8O/c1-31-14-17(12-27-31)20-3-2-15-11-26-22(9-21(15)29-20)30-23(32)16-8-19(13-25-10-16)28-18-4-6-24-7-5-18/h2-3,8-14,18,24,28H,4-7H2,1H3,(H,26,30,32)
InChIKeyVLXHWRWKVMKKII-UHFFFAOYSA-N
XLogP2.84
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-fluoro-N-[2-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]benzamide
CID 138590307
2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[5-(piperidin-4-ylamino)-3-pyridinyl]ethanone
CID 158063988
N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-benzothiophene-5-carboxamide
CID 138590221
N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-2-carboxamide
CID 138589589
4-(hydroxymethyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
CID 138590394
6-(4-methylpiperazin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridazine-4-carboxamide
CID 138590695
1-(1-ethylpiperidin-4-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyrazole-4-carboxamide
CID 138591491
N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-2-propan-2-yloxypyridine-4-carboxamide
CID 138591594
2-(4-hydroxypiperidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138590290
2-[2-(dimethylamino)ethoxy]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridine-4-carboxamide
CID 138591319
2-[4-(difluoromethyl)piperidin-1-yl]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138588097
2-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138589895

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-5-(piperidin-4-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-5-(piperidin-4-ylamino)pyridine-3-carboxamide (CID 138589617) is N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-5-(piperidin-4-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-5-(piperidin-4-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-5-(piperidin-4-ylamino)pyridine-3-carboxamide is Cn1cc(-c2ccc3cnc(NC(=O)c4cncc(NC5CCNCC5)c4)cc3n2)cn1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-5-(piperidin-4-ylamino)pyridine-3-carboxamide?
The InChIKey is VLXHWRWKVMKKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O/c1-31-14-17(12-27-31)20-3-2-15-11-26-22(9-21(15)29-20)30-23(32)16-8-19(13-25-10-16)28-18-4-6-24-7-5-18/h2-3,8-14,18,24,28H,4-7H2,1H3,(H,26,30,32).
What are the key properties of N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-5-(piperidin-4-ylamino)pyridine-3-carboxamide?
N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-5-(piperidin-4-ylamino)pyridine-3-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-5-(piperidin-4-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 138589617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).