N-[2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide

C24H28N6O — CID 53311730

IUPACN-[2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide
SMILESCc1ccnc(N2CCN(c3cc(C(C)C)ccc3NC(=O)c3cccnc3)CC2)n1
InChIInChI=1S/C24H28N6O/c1-17(2)19-6-7-21(28-23(31)20-5-4-9-25-16-20)22(15-19)29-11-13-30(14-12-29)24-26-10-8-18(3)27-24/h4-10,15-17H,11-14H2,1-3H3,(H,28,31)
InChIKeySWITYPSOILNGKL-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.88
Rot. Bonds5

About N-[2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide

N-[2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide (PubChem CID 53311730) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide
PubChem CID53311730
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC NameN-[2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide
SMILESCc1ccnc(N2CCN(c3cc(C(C)C)ccc3NC(=O)c3cccnc3)CC2)n1
InChIInChI=1S/C24H28N6O/c1-17(2)19-6-7-21(28-23(31)20-5-4-9-25-16-20)22(15-19)29-11-13-30(14-12-29)24-26-10-8-18(3)27-24/h4-10,15-17H,11-14H2,1-3H3,(H,28,31)
InChIKeySWITYPSOILNGKL-UHFFFAOYSA-N
XLogP3.88
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 53312062
2-methyl-N-[4-propan-2-yl-2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 53312230
5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide;5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;6-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;N-phenyl-4-[5-propan-2-yl-2-(pyridine-3-carbonylamino)phenyl]piperazine-1-carboxamide
CID 161088509
2-cyclopropyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 53311473
N-(2,4-dimorpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24676967
N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide
CID 38282179
2-(dimethylamino)-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 53312229
N-[2-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide
CID 4538085
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 91675846
4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridin-3-amine
CID 62959098
N-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)pyridine-3-carboxamide
CID 10149873
N-(6-bromo-2-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 103909634

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide (CID 53311730) is N-[2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide is Cc1ccnc(N2CCN(c3cc(C(C)C)ccc3NC(=O)c3cccnc3)CC2)n1.
What is the InChIKey of N-[2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide?
The InChIKey is SWITYPSOILNGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-17(2)19-6-7-21(28-23(31)20-5-4-9-25-16-20)22(15-19)29-11-13-30(14-12-29)24-26-10-8-18(3)27-24/h4-10,15-17H,11-14H2,1-3H3,(H,28,31).
What are the key properties of N-[2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide?
N-[2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 53311730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).