4-(3-methylbutan-2-ylamino)-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide

C25H35N5O2 — CID 67502547

IUPAC4-(3-methylbutan-2-ylamino)-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide
SMILESCCC(=O)N1CCC(c2ccc(Nc3cc(NC(C)C(C)C)c(C(N)=O)cn3)cc2)CC1
InChIInChI=1S/C25H35N5O2/c1-5-24(31)30-12-10-19(11-13-30)18-6-8-20(9-7-18)29-23-14-22(28-17(4)16(2)3)21(15-27-23)25(26)32/h6-9,14-17,19H,5,10-13H2,1-4H3,(H2,26,32)(H2,27,28,29)
InChIKeyYYCFHYDLSCYWNI-UHFFFAOYSA-N
MW437.59 g/mol
LogP4.50
Rot. Bonds8

About 4-(3-methylbutan-2-ylamino)-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide

4-(3-methylbutan-2-ylamino)-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide (PubChem CID 67502547) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 4-(3-methylbutan-2-ylamino)-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(3-methylbutan-2-ylamino)-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide
PubChem CID67502547
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC Name4-(3-methylbutan-2-ylamino)-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide
SMILESCCC(=O)N1CCC(c2ccc(Nc3cc(NC(C)C(C)C)c(C(N)=O)cn3)cc2)CC1
InChIInChI=1S/C25H35N5O2/c1-5-24(31)30-12-10-19(11-13-30)18-6-8-20(9-7-18)29-23-14-22(28-17(4)16(2)3)21(15-27-23)25(26)32/h6-9,14-17,19H,5,10-13H2,1-4H3,(H2,26,32)(H2,27,28,29)
InChIKeyYYCFHYDLSCYWNI-UHFFFAOYSA-N
XLogP4.50
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutan-2-ylamino)-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide?
The IUPAC name of 4-(3-methylbutan-2-ylamino)-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide (CID 67502547) is 4-(3-methylbutan-2-ylamino)-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 4-(3-methylbutan-2-ylamino)-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide?
The canonical SMILES for 4-(3-methylbutan-2-ylamino)-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide is CCC(=O)N1CCC(c2ccc(Nc3cc(NC(C)C(C)C)c(C(N)=O)cn3)cc2)CC1.
What is the InChIKey of 4-(3-methylbutan-2-ylamino)-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide?
The InChIKey is YYCFHYDLSCYWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-5-24(31)30-12-10-19(11-13-30)18-6-8-20(9-7-18)29-23-14-22(28-17(4)16(2)3)21(15-27-23)25(26)32/h6-9,14-17,19H,5,10-13H2,1-4H3,(H2,26,32)(H2,27,28,29).
What are the key properties of 4-(3-methylbutan-2-ylamino)-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide?
4-(3-methylbutan-2-ylamino)-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide has a molecular weight of 437.59 g/mol, XLogP of 4.50, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutan-2-ylamino)-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 67502547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).