6-[4-(oxan-4-yl)anilino]-4-[piperidin-4-yl(propanoyl)amino]pyridine-3-carboxamide

C25H33N5O3 — CID 67509649

IUPAC6-[4-(oxan-4-yl)anilino]-4-[piperidin-4-yl(propanoyl)amino]pyridine-3-carboxamide
SMILESCCC(=O)N(c1cc(Nc2ccc(C3CCOCC3)cc2)ncc1C(N)=O)C1CCNCC1
InChIInChI=1S/C25H33N5O3/c1-2-24(31)30(20-7-11-27-12-8-20)22-15-23(28-16-21(22)25(26)32)29-19-5-3-17(4-6-19)18-9-13-33-14-10-18/h3-6,15-16,18,20,27H,2,7-14H2,1H3,(H2,26,32)(H,28,29)
InChIKeyCSRHVUJSYGYACN-UHFFFAOYSA-N
MW451.57 g/mol
LogP3.31
Rot. Bonds7

About 6-[4-(oxan-4-yl)anilino]-4-[piperidin-4-yl(propanoyl)amino]pyridine-3-carboxamide

6-[4-(oxan-4-yl)anilino]-4-[piperidin-4-yl(propanoyl)amino]pyridine-3-carboxamide (PubChem CID 67509649) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 6-[4-(oxan-4-yl)anilino]-4-[piperidin-4-yl(propanoyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(oxan-4-yl)anilino]-4-[piperidin-4-yl(propanoyl)amino]pyridine-3-carboxamide
PubChem CID67509649
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name6-[4-(oxan-4-yl)anilino]-4-[piperidin-4-yl(propanoyl)amino]pyridine-3-carboxamide
SMILESCCC(=O)N(c1cc(Nc2ccc(C3CCOCC3)cc2)ncc1C(N)=O)C1CCNCC1
InChIInChI=1S/C25H33N5O3/c1-2-24(31)30(20-7-11-27-12-8-20)22-15-23(28-16-21(22)25(26)32)29-19-5-3-17(4-6-19)18-9-13-33-14-10-18/h3-6,15-16,18,20,27H,2,7-14H2,1H3,(H2,26,32)(H,28,29)
InChIKeyCSRHVUJSYGYACN-UHFFFAOYSA-N
XLogP3.31
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide
CID 67502648
4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide
CID 67516012
4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide
CID 67501907
4-[1H-indol-6-yl(methyl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide
CID 67502761
4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide
CID 67500903
4-[cyclopentyl(methyl)amino]-6-[4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide
CID 56970219
4-(3-methylbutan-2-ylamino)-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide
CID 67502547
6-[4-(azetidin-3-yl)anilino]-4-(benzylamino)pyridine-3-carboxamide
CID 67501790
4-(benzylamino)-6-[4-(2-oxo-2-piperidin-4-ylethyl)anilino]pyridine-3-carboxamide
CID 58450567
2-(methylamino)-6-[4-(oxan-4-yl)anilino]-5-(2H-triazol-4-yl)pyridine-3-carboxamide
CID 67515518
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-(oxan-4-yl)anilino]pyrimidine-5-carboxamide
CID 57471966
4-(N-cyclopropylanilino)-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide
CID 67508104

Frequently Asked Questions

What is the IUPAC name of 6-[4-(oxan-4-yl)anilino]-4-[piperidin-4-yl(propanoyl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(oxan-4-yl)anilino]-4-[piperidin-4-yl(propanoyl)amino]pyridine-3-carboxamide (CID 67509649) is 6-[4-(oxan-4-yl)anilino]-4-[piperidin-4-yl(propanoyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(oxan-4-yl)anilino]-4-[piperidin-4-yl(propanoyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(oxan-4-yl)anilino]-4-[piperidin-4-yl(propanoyl)amino]pyridine-3-carboxamide is CCC(=O)N(c1cc(Nc2ccc(C3CCOCC3)cc2)ncc1C(N)=O)C1CCNCC1.
What is the InChIKey of 6-[4-(oxan-4-yl)anilino]-4-[piperidin-4-yl(propanoyl)amino]pyridine-3-carboxamide?
The InChIKey is CSRHVUJSYGYACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-2-24(31)30(20-7-11-27-12-8-20)22-15-23(28-16-21(22)25(26)32)29-19-5-3-17(4-6-19)18-9-13-33-14-10-18/h3-6,15-16,18,20,27H,2,7-14H2,1H3,(H2,26,32)(H,28,29).
What are the key properties of 6-[4-(oxan-4-yl)anilino]-4-[piperidin-4-yl(propanoyl)amino]pyridine-3-carboxamide?
6-[4-(oxan-4-yl)anilino]-4-[piperidin-4-yl(propanoyl)amino]pyridine-3-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 3.31, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(oxan-4-yl)anilino]-4-[piperidin-4-yl(propanoyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 67509649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).