5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(4-pyrrolidin-3-yl-2-pyridinyl)pyridine-2,4-diamine

C22H25ClN5P — CID 175702881

IUPAC5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(4-pyrrolidin-3-yl-2-pyridinyl)pyridine-2,4-diamine
SMILESCP(C)c1ccccc1Nc1cc(Nc2cc(C3CCNC3)ccn2)ncc1Cl
InChIInChI=1S/C22H25ClN5P/c1-29(2)20-6-4-3-5-18(20)27-19-12-22(26-14-17(19)23)28-21-11-15(8-10-25-21)16-7-9-24-13-16/h3-6,8,10-12,14,16,24H,7,9,13H2,1-2H3,(H2,25,26,27,28)
InChIKeyRAQBSULGFZQZTM-UHFFFAOYSA-N
MW425.90 g/mol
LogP5.06
Rot. Bonds6

About 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(4-pyrrolidin-3-yl-2-pyridinyl)pyridine-2,4-diamine

5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(4-pyrrolidin-3-yl-2-pyridinyl)pyridine-2,4-diamine (PubChem CID 175702881) has the molecular formula C22H25ClN5P and a molecular weight of 425.90 g/mol. Its IUPAC name is 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(4-pyrrolidin-3-yl-2-pyridinyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(4-pyrrolidin-3-yl-2-pyridinyl)pyridine-2,4-diamine
PubChem CID175702881
Molecular FormulaC22H25ClN5P
Molecular Weight425.90 g/mol
Exact Mass425.15
IUPAC Name5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(4-pyrrolidin-3-yl-2-pyridinyl)pyridine-2,4-diamine
SMILESCP(C)c1ccccc1Nc1cc(Nc2cc(C3CCNC3)ccn2)ncc1Cl
InChIInChI=1S/C22H25ClN5P/c1-29(2)20-6-4-3-5-18(20)27-19-12-22(26-14-17(19)23)28-21-11-15(8-10-25-21)16-7-9-24-13-16/h3-6,8,10-12,14,16,24H,7,9,13H2,1-2H3,(H2,25,26,27,28)
InChIKeyRAQBSULGFZQZTM-UHFFFAOYSA-N
XLogP5.06
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.90
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-[4-(1-methylpiperidin-4-yl)-2-pyridinyl]pyridine-2,4-diamine
CID 175702880
tert-butyl 3-[2-[[5-chloro-4-(2-dimethylphosphorylanilino)-2-pyridinyl]amino]-4-pyridinyl]pyrrolidine-1-carboxylate
CID 163211839
3-methyl-N-(4-piperidin-3-yl-2-pyridinyl)pyridin-2-amine
CID 175661172
3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride
CID 169498285
CID 156632351
CID 156632351
2-chloro-4-piperidin-4-ylpyridine;dihydrochloride
CID 167994882
ethane;3-phenylpyrrolidine
CID 91032726
2-[(4-cyclopropyl-2-pyridinyl)amino]pyridine-4-carbonitrile
CID 129021795
(3S)-3-(4-chloro-3-iodophenyl)pyrrolidine
CID 131162893
3-pyrrolidin-3-ylpyridine
CID 3613651
5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(1H-indol-6-yl)pyrimidine-2,4-diamine
CID 175544803
N,N-dimethyl-4-[(3S)-piperidin-3-yl]pyridin-2-amine
CID 95804693

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(4-pyrrolidin-3-yl-2-pyridinyl)pyridine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(4-pyrrolidin-3-yl-2-pyridinyl)pyridine-2,4-diamine (CID 175702881) is 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(4-pyrrolidin-3-yl-2-pyridinyl)pyridine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(4-pyrrolidin-3-yl-2-pyridinyl)pyridine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(4-pyrrolidin-3-yl-2-pyridinyl)pyridine-2,4-diamine is CP(C)c1ccccc1Nc1cc(Nc2cc(C3CCNC3)ccn2)ncc1Cl.
What is the InChIKey of 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(4-pyrrolidin-3-yl-2-pyridinyl)pyridine-2,4-diamine?
The InChIKey is RAQBSULGFZQZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN5P/c1-29(2)20-6-4-3-5-18(20)27-19-12-22(26-14-17(19)23)28-21-11-15(8-10-25-21)16-7-9-24-13-16/h3-6,8,10-12,14,16,24H,7,9,13H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(4-pyrrolidin-3-yl-2-pyridinyl)pyridine-2,4-diamine?
5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(4-pyrrolidin-3-yl-2-pyridinyl)pyridine-2,4-diamine has a molecular weight of 425.90 g/mol, XLogP of 5.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2-dimethylphosphanylphenyl)-2-N-(4-pyrrolidin-3-yl-2-pyridinyl)pyridine-2,4-diamine is sourced from PubChem (CID 175702881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).