4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide

C25H31N7O2 — CID 67501907

IUPAC4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide
SMILESCCC(=O)N1CCC(c2ccc(Nc3cc(N(C)c4cnn(C)c4)c(C(N)=O)cn3)cc2)CC1
InChIInChI=1S/C25H31N7O2/c1-4-24(33)32-11-9-18(10-12-32)17-5-7-19(8-6-17)29-23-13-22(21(15-27-23)25(26)34)31(3)20-14-28-30(2)16-20/h5-8,13-16,18H,4,9-12H2,1-3H3,(H2,26,34)(H,27,29)
InChIKeyRWUBZGWBWVKAQN-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.54
Rot. Bonds7

About 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide

4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide (PubChem CID 67501907) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide
PubChem CID67501907
Molecular FormulaC25H31N7O2
Molecular Weight461.57 g/mol
Exact Mass461.25
IUPAC Name4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide
SMILESCCC(=O)N1CCC(c2ccc(Nc3cc(N(C)c4cnn(C)c4)c(C(N)=O)cn3)cc2)CC1
InChIInChI=1S/C25H31N7O2/c1-4-24(33)32-11-9-18(10-12-32)17-5-7-19(8-6-17)29-23-13-22(21(15-27-23)25(26)34)31(3)20-14-28-30(2)16-20/h5-8,13-16,18H,4,9-12H2,1-3H3,(H2,26,34)(H,27,29)
InChIKeyRWUBZGWBWVKAQN-UHFFFAOYSA-N
XLogP3.54
TPSA109.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide?
The IUPAC name of 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide (CID 67501907) is 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide?
The canonical SMILES for 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide is CCC(=O)N1CCC(c2ccc(Nc3cc(N(C)c4cnn(C)c4)c(C(N)=O)cn3)cc2)CC1.
What is the InChIKey of 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide?
The InChIKey is RWUBZGWBWVKAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O2/c1-4-24(33)32-11-9-18(10-12-32)17-5-7-19(8-6-17)29-23-13-22(21(15-27-23)25(26)34)31(3)20-14-28-30(2)16-20/h5-8,13-16,18H,4,9-12H2,1-3H3,(H2,26,34)(H,27,29).
What are the key properties of 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide?
4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 67501907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).