N-(3-chlorophenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide

C22H24ClN7O — CID 71800271

IUPACN-(3-chlorophenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCc1ccnc(Nc2cc(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)nc(C)n2)c1
InChIInChI=1S/C22H24ClN7O/c1-15-6-7-24-19(12-15)28-20-14-21(26-16(2)25-20)29-8-10-30(11-9-29)22(31)27-18-5-3-4-17(23)13-18/h3-7,12-14H,8-11H2,1-2H3,(H,27,31)(H,24,25,26,28)
InChIKeyQSVZMPAGNCLHMB-UHFFFAOYSA-N
MW437.94 g/mol
LogP4.24
Rot. Bonds4

About N-(3-chlorophenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide

N-(3-chlorophenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 71800271) has the molecular formula C22H24ClN7O and a molecular weight of 437.94 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
PubChem CID71800271
Molecular FormulaC22H24ClN7O
Molecular Weight437.94 g/mol
Exact Mass437.17
IUPAC NameN-(3-chlorophenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCc1ccnc(Nc2cc(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)nc(C)n2)c1
InChIInChI=1S/C22H24ClN7O/c1-15-6-7-24-19(12-15)28-20-14-21(26-16(2)25-20)29-8-10-30(11-9-29)22(31)27-18-5-3-4-17(23)13-18/h3-7,12-14H,8-11H2,1-2H3,(H,27,31)(H,24,25,26,28)
InChIKeyQSVZMPAGNCLHMB-UHFFFAOYSA-N
XLogP4.24
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.94
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-chlorophenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide
CID 122350283
N-[3-(difluoromethoxy)phenyl]-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
CID 122350284
N-(4-ethoxyphenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
CID 122350226
N-(3-chlorophenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 47001299
(4-chlorophenyl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350169
N-(4-chlorophenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
CID 122349382
cyclopropyl-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350203
(E)-3-(4-chlorophenyl)-1-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 122350433
(2-bromophenyl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350536
(3,4-difluorophenyl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350288
(3-chlorophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349334
N-(3-chlorophenyl)-4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 42802773

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide (CID 71800271) is N-(3-chlorophenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide is Cc1ccnc(Nc2cc(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)nc(C)n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide?
The InChIKey is QSVZMPAGNCLHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN7O/c1-15-6-7-24-19(12-15)28-20-14-21(26-16(2)25-20)29-8-10-30(11-9-29)22(31)27-18-5-3-4-17(23)13-18/h3-7,12-14H,8-11H2,1-2H3,(H,27,31)(H,24,25,26,28).
What are the key properties of N-(3-chlorophenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide?
N-(3-chlorophenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 437.94 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 71800271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).