5-hydroxy-2-[[1-[4-[(3-hydroxy-1,2-dihydropyridin-5-yl)methyl]phenyl]piperidin-4-yl]methyl]-6-methylpyrimidine-4-carboxamide

C24H29N5O3 — CID 70965908

IUPAC5-hydroxy-2-[[1-[4-[(3-hydroxy-1,2-dihydropyridin-5-yl)methyl]phenyl]piperidin-4-yl]methyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1nc(CC2CCN(c3ccc(CC4=CNCC(O)=C4)cc3)CC2)nc(C(N)=O)c1O
InChIInChI=1S/C24H29N5O3/c1-15-23(31)22(24(25)32)28-21(27-15)12-17-6-8-29(9-7-17)19-4-2-16(3-5-19)10-18-11-20(30)14-26-13-18/h2-5,11,13,17,26,30-31H,6-10,12,14H2,1H3,(H2,25,32)
InChIKeySXKCVSHBEXHYOD-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.52
Rot. Bonds6

About 5-hydroxy-2-[[1-[4-[(3-hydroxy-1,2-dihydropyridin-5-yl)methyl]phenyl]piperidin-4-yl]methyl]-6-methylpyrimidine-4-carboxamide

5-hydroxy-2-[[1-[4-[(3-hydroxy-1,2-dihydropyridin-5-yl)methyl]phenyl]piperidin-4-yl]methyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 70965908) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 5-hydroxy-2-[[1-[4-[(3-hydroxy-1,2-dihydropyridin-5-yl)methyl]phenyl]piperidin-4-yl]methyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-2-[[1-[4-[(3-hydroxy-1,2-dihydropyridin-5-yl)methyl]phenyl]piperidin-4-yl]methyl]-6-methylpyrimidine-4-carboxamide
PubChem CID70965908
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name5-hydroxy-2-[[1-[4-[(3-hydroxy-1,2-dihydropyridin-5-yl)methyl]phenyl]piperidin-4-yl]methyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1nc(CC2CCN(c3ccc(CC4=CNCC(O)=C4)cc3)CC2)nc(C(N)=O)c1O
InChIInChI=1S/C24H29N5O3/c1-15-23(31)22(24(25)32)28-21(27-15)12-17-6-8-29(9-7-17)19-4-2-16(3-5-19)10-18-11-20(30)14-26-13-18/h2-5,11,13,17,26,30-31H,6-10,12,14H2,1H3,(H2,25,32)
InChIKeySXKCVSHBEXHYOD-UHFFFAOYSA-N
XLogP2.52
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[1-[4-[(3-hydroxy-1,2-dihydropyridin-5-yl)methyl]phenyl]piperidin-4-yl]methyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-2-[[1-[4-[(3-hydroxy-1,2-dihydropyridin-5-yl)methyl]phenyl]piperidin-4-yl]methyl]-6-methylpyrimidine-4-carboxamide (CID 70965908) is 5-hydroxy-2-[[1-[4-[(3-hydroxy-1,2-dihydropyridin-5-yl)methyl]phenyl]piperidin-4-yl]methyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-2-[[1-[4-[(3-hydroxy-1,2-dihydropyridin-5-yl)methyl]phenyl]piperidin-4-yl]methyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-2-[[1-[4-[(3-hydroxy-1,2-dihydropyridin-5-yl)methyl]phenyl]piperidin-4-yl]methyl]-6-methylpyrimidine-4-carboxamide is Cc1nc(CC2CCN(c3ccc(CC4=CNCC(O)=C4)cc3)CC2)nc(C(N)=O)c1O.
What is the InChIKey of 5-hydroxy-2-[[1-[4-[(3-hydroxy-1,2-dihydropyridin-5-yl)methyl]phenyl]piperidin-4-yl]methyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is SXKCVSHBEXHYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-15-23(31)22(24(25)32)28-21(27-15)12-17-6-8-29(9-7-17)19-4-2-16(3-5-19)10-18-11-20(30)14-26-13-18/h2-5,11,13,17,26,30-31H,6-10,12,14H2,1H3,(H2,25,32).
What are the key properties of 5-hydroxy-2-[[1-[4-[(3-hydroxy-1,2-dihydropyridin-5-yl)methyl]phenyl]piperidin-4-yl]methyl]-6-methylpyrimidine-4-carboxamide?
5-hydroxy-2-[[1-[4-[(3-hydroxy-1,2-dihydropyridin-5-yl)methyl]phenyl]piperidin-4-yl]methyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.52, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[1-[4-[(3-hydroxy-1,2-dihydropyridin-5-yl)methyl]phenyl]piperidin-4-yl]methyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 70965908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).