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

C21H22ClN7O — CID 122349382

IUPACN-(4-chlorophenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCc1ccnc(Nc2cc(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)ncn2)c1
InChIInChI=1S/C21H22ClN7O/c1-15-6-7-23-18(12-15)27-19-13-20(25-14-24-19)28-8-10-29(11-9-28)21(30)26-17-4-2-16(22)3-5-17/h2-7,12-14H,8-11H2,1H3,(H,26,30)(H,23,24,25,27)
InChIKeyBGIHSRQBGYWLJI-UHFFFAOYSA-N
MW423.91 g/mol
LogP3.93
Rot. Bonds4

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

N-(4-chlorophenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 122349382) has the molecular formula C21H22ClN7O and a molecular weight of 423.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
PubChem CID122349382
Molecular FormulaC21H22ClN7O
Molecular Weight423.91 g/mol
Exact Mass423.16
IUPAC NameN-(4-chlorophenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCc1ccnc(Nc2cc(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)ncn2)c1
InChIInChI=1S/C21H22ClN7O/c1-15-6-7-23-18(12-15)27-19-13-20(25-14-24-19)28-8-10-29(11-9-28)21(30)26-17-4-2-16(22)3-5-17/h2-7,12-14H,8-11H2,1H3,(H,26,30)(H,23,24,25,27)
InChIKeyBGIHSRQBGYWLJI-UHFFFAOYSA-N
XLogP3.93
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.91
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

(3-chlorophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349334
N-(3-chlorophenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
CID 71800271
2-(2,4-dichlorophenoxy)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349361
N-(4-ethoxyphenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
CID 122350226
3-methyl-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 122349311
3,3,3-trifluoro-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 122349602
1-(4-chlorophenyl)-3-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]urea
CID 122316239
N-(3,4-dimethylphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 121064676
2-cyclopentyl-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349489
(4-chlorophenyl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350169
1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 122349377
4-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carbonyl]benzonitrile
CID 122349528

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide (CID 122349382) is N-(4-chlorophenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide is Cc1ccnc(Nc2cc(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)ncn2)c1.
What is the InChIKey of N-(4-chlorophenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide?
The InChIKey is BGIHSRQBGYWLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN7O/c1-15-6-7-23-18(12-15)27-19-13-20(25-14-24-19)28-8-10-29(11-9-28)21(30)26-17-4-2-16(22)3-5-17/h2-7,12-14H,8-11H2,1H3,(H,26,30)(H,23,24,25,27).
What are the key properties of N-(4-chlorophenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 423.91 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 122349382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).