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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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).