2-methyl-N-[3-[4-(4-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide

C23H23N5O — CID 138738460

IUPAC2-methyl-N-[3-[4-(4-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NCCCc1ccc(-c2cnc3[nH]ncc3c2C)cc1
InChIInChI=1S/C23H23N5O/c1-15-20(13-26-22-21(15)14-27-28-22)18-9-7-17(8-10-18)5-3-12-25-23(29)19-6-4-11-24-16(19)2/h4,6-11,13-14H,3,5,12H2,1-2H3,(H,25,29)(H,26,27,28)
InChIKeyKBCZPTFEOMLNRL-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.00
Rot. Bonds6

About 2-methyl-N-[3-[4-(4-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide

2-methyl-N-[3-[4-(4-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide (PubChem CID 138738460) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-methyl-N-[3-[4-(4-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-[4-(4-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide
PubChem CID138738460
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name2-methyl-N-[3-[4-(4-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NCCCc1ccc(-c2cnc3[nH]ncc3c2C)cc1
InChIInChI=1S/C23H23N5O/c1-15-20(13-26-22-21(15)14-27-28-22)18-9-7-17(8-10-18)5-3-12-25-23(29)19-6-4-11-24-16(19)2/h4,6-11,13-14H,3,5,12H2,1-2H3,(H,25,29)(H,26,27,28)
InChIKeyKBCZPTFEOMLNRL-UHFFFAOYSA-N
XLogP4.00
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide
CID 138674302
N-hexyl-2-methylpyridine-3-carboxamide
CID 67377746
2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 113440647
methyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate
CID 78951048
N-(4-azidobutyl)-2-methylpyridine-3-carboxamide
CID 106386346
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-6-methylpyridine-3-carboxamide
CID 138674359
2-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 115629960
methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate
CID 78950792
N-(3-methoxypropyl)-2-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 167970947
N-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78950948
2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 62237813
N-[3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]-2-methylpyridine-3-carboxamide
CID 46965507

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[4-(4-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-[4-(4-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide (CID 138738460) is 2-methyl-N-[3-[4-(4-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-[4-(4-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-[4-(4-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide is Cc1ncccc1C(=O)NCCCc1ccc(-c2cnc3[nH]ncc3c2C)cc1.
What is the InChIKey of 2-methyl-N-[3-[4-(4-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide?
The InChIKey is KBCZPTFEOMLNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-15-20(13-26-22-21(15)14-27-28-22)18-9-7-17(8-10-18)5-3-12-25-23(29)19-6-4-11-24-16(19)2/h4,6-11,13-14H,3,5,12H2,1-2H3,(H,25,29)(H,26,27,28).
What are the key properties of 2-methyl-N-[3-[4-(4-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide?
2-methyl-N-[3-[4-(4-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[4-(4-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 138738460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).