2,6-dichloro-N-[6-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]pyrimidin-4-yl]benzamide

C22H21Cl2N7O2 — CID 59618216

IUPAC2,6-dichloro-N-[6-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]pyrimidin-4-yl]benzamide
SMILESCN1CCN(C(=O)c2ccc(Nc3cc(NC(=O)c4c(Cl)cccc4Cl)ncn3)nc2)CC1
InChIInChI=1S/C22H21Cl2N7O2/c1-30-7-9-31(10-8-30)22(33)14-5-6-17(25-12-14)28-18-11-19(27-13-26-18)29-21(32)20-15(23)3-2-4-16(20)24/h2-6,11-13H,7-10H2,1H3,(H2,25,26,27,28,29,32)
InChIKeyKPRGVBMFRYSOQO-UHFFFAOYSA-N
MW486.36 g/mol
LogP3.56
Rot. Bonds5

About 2,6-dichloro-N-[6-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]pyrimidin-4-yl]benzamide

2,6-dichloro-N-[6-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]pyrimidin-4-yl]benzamide (PubChem CID 59618216) has the molecular formula C22H21Cl2N7O2 and a molecular weight of 486.36 g/mol. Its IUPAC name is 2,6-dichloro-N-[6-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[6-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]pyrimidin-4-yl]benzamide
PubChem CID59618216
Molecular FormulaC22H21Cl2N7O2
Molecular Weight486.36 g/mol
Exact Mass485.11
IUPAC Name2,6-dichloro-N-[6-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]pyrimidin-4-yl]benzamide
SMILESCN1CCN(C(=O)c2ccc(Nc3cc(NC(=O)c4c(Cl)cccc4Cl)ncn3)nc2)CC1
InChIInChI=1S/C22H21Cl2N7O2/c1-30-7-9-31(10-8-30)22(33)14-5-6-17(25-12-14)28-18-11-19(27-13-26-18)29-21(32)20-15(23)3-2-4-16(20)24/h2-6,11-13H,7-10H2,1H3,(H2,25,26,27,28,29,32)
InChIKeyKPRGVBMFRYSOQO-UHFFFAOYSA-N
XLogP3.56
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.36
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-dichloro-N-[6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzamide
CID 59618366
[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109154641
1-[4-[6-(3,4-dichloroanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109155276
(4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109154661
[5-(2,6-dichloroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230222
[6-(4-chloroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 1441202
N-(3-chloro-2-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104479
6-[(2-chloro-6-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 137373603
[6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 46226045
2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157840
azepan-1-yl-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanone
CID 109162064
N-[3-[[5-(4-formylpiperazine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109155045

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[6-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]pyrimidin-4-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[6-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]pyrimidin-4-yl]benzamide (CID 59618216) is 2,6-dichloro-N-[6-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]pyrimidin-4-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[6-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]pyrimidin-4-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[6-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]pyrimidin-4-yl]benzamide is CN1CCN(C(=O)c2ccc(Nc3cc(NC(=O)c4c(Cl)cccc4Cl)ncn3)nc2)CC1.
What is the InChIKey of 2,6-dichloro-N-[6-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]pyrimidin-4-yl]benzamide?
The InChIKey is KPRGVBMFRYSOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N7O2/c1-30-7-9-31(10-8-30)22(33)14-5-6-17(25-12-14)28-18-11-19(27-13-26-18)29-21(32)20-15(23)3-2-4-16(20)24/h2-6,11-13H,7-10H2,1H3,(H2,25,26,27,28,29,32).
What are the key properties of 2,6-dichloro-N-[6-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]pyrimidin-4-yl]benzamide?
2,6-dichloro-N-[6-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]pyrimidin-4-yl]benzamide has a molecular weight of 486.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[6-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 59618216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).