4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide

C26H30N6O2 — CID 67500903

IUPAC4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide
SMILESCCC(=O)N1CCC(c2ccc(Nc3cc(N(C)c4ccccn4)c(C(N)=O)cn3)cc2)CC1
InChIInChI=1S/C26H30N6O2/c1-3-25(33)32-14-11-19(12-15-32)18-7-9-20(10-8-18)30-23-16-22(21(17-29-23)26(27)34)31(2)24-6-4-5-13-28-24/h4-10,13,16-17,19H,3,11-12,14-15H2,1-2H3,(H2,27,34)(H,29,30)
InChIKeyFNEQQQGTVRNMCS-UHFFFAOYSA-N
MW458.57 g/mol
LogP4.20
Rot. Bonds7

About 4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide

4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide (PubChem CID 67500903) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide
PubChem CID67500903
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide
SMILESCCC(=O)N1CCC(c2ccc(Nc3cc(N(C)c4ccccn4)c(C(N)=O)cn3)cc2)CC1
InChIInChI=1S/C26H30N6O2/c1-3-25(33)32-14-11-19(12-15-32)18-7-9-20(10-8-18)30-23-16-22(21(17-29-23)26(27)34)31(2)24-6-4-5-13-28-24/h4-10,13,16-17,19H,3,11-12,14-15H2,1-2H3,(H2,27,34)(H,29,30)
InChIKeyFNEQQQGTVRNMCS-UHFFFAOYSA-N
XLogP4.20
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide?
The IUPAC name of 4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide (CID 67500903) is 4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide?
The canonical SMILES for 4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide is CCC(=O)N1CCC(c2ccc(Nc3cc(N(C)c4ccccn4)c(C(N)=O)cn3)cc2)CC1.
What is the InChIKey of 4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide?
The InChIKey is FNEQQQGTVRNMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-3-25(33)32-14-11-19(12-15-32)18-7-9-20(10-8-18)30-23-16-22(21(17-29-23)26(27)34)31(2)24-6-4-5-13-28-24/h4-10,13,16-17,19H,3,11-12,14-15H2,1-2H3,(H2,27,34)(H,29,30).
What are the key properties of 4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide?
4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 67500903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).