N-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide

C22H21N5O3 — CID 91952513

IUPACN-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cnc(N2CCCCC2)nc1-c1ccncc1
InChIInChI=1S/C22H21N5O3/c28-21(25-16-4-5-18-19(12-16)30-14-29-18)17-13-24-22(27-10-2-1-3-11-27)26-20(17)15-6-8-23-9-7-15/h4-9,12-13H,1-3,10-11,14H2,(H,25,28)
InChIKeyGFYVVPVDHAVIOJ-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.51
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide

N-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 91952513) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID91952513
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cnc(N2CCCCC2)nc1-c1ccncc1
InChIInChI=1S/C22H21N5O3/c28-21(25-16-4-5-18-19(12-16)30-14-29-18)17-13-24-22(27-10-2-1-3-11-27)26-20(17)15-6-8-23-9-7-15/h4-9,12-13H,1-3,10-11,14H2,(H,25,28)
InChIKeyGFYVVPVDHAVIOJ-UHFFFAOYSA-N
XLogP3.51
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 46484817
2-piperidin-1-yl-4-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-carboxamide
CID 91952494
N-(2-methylquinolin-4-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 91952524
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504338
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 91952530
N-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300487
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108518
N-(1,3-benzodioxol-5-yl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
CID 20913568
N-(2-methyl-3-oxo-1H-isoindol-5-yl)-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 91952580
N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 46345478
4-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-carboxamide
CID 81235040
N-(3,4-difluorophenyl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 50795519

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide (CID 91952513) is N-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cnc(N2CCCCC2)nc1-c1ccncc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is GFYVVPVDHAVIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c28-21(25-16-4-5-18-19(12-16)30-14-29-18)17-13-24-22(27-10-2-1-3-11-27)26-20(17)15-6-8-23-9-7-15/h4-9,12-13H,1-3,10-11,14H2,(H,25,28).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 91952513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).