5-chloro-4-[6-[(3-chlorophenyl)methylamino]-2-pyridinyl]-N-[4-(methylideneamino)cyclohexyl]pyridin-2-amine

C24H25Cl2N5 — CID 123903572

IUPAC5-chloro-4-[6-[(3-chlorophenyl)methylamino]-2-pyridinyl]-N-[4-(methylideneamino)cyclohexyl]pyridin-2-amine
SMILESC=NC1CCC(Nc2cc(-c3cccc(NCc4cccc(Cl)c4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C24H25Cl2N5/c1-27-18-8-10-19(11-9-18)30-24-13-20(21(26)15-29-24)22-6-3-7-23(31-22)28-14-16-4-2-5-17(25)12-16/h2-7,12-13,15,18-19H,1,8-11,14H2,(H,28,31)(H,29,30)
InChIKeyGIFLVSNLUGZPGR-UHFFFAOYSA-N
MW454.41 g/mol
LogP6.49
Rot. Bonds7

About 5-chloro-4-[6-[(3-chlorophenyl)methylamino]-2-pyridinyl]-N-[4-(methylideneamino)cyclohexyl]pyridin-2-amine

5-chloro-4-[6-[(3-chlorophenyl)methylamino]-2-pyridinyl]-N-[4-(methylideneamino)cyclohexyl]pyridin-2-amine (PubChem CID 123903572) has the molecular formula C24H25Cl2N5 and a molecular weight of 454.41 g/mol. Its IUPAC name is 5-chloro-4-[6-[(3-chlorophenyl)methylamino]-2-pyridinyl]-N-[4-(methylideneamino)cyclohexyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[6-[(3-chlorophenyl)methylamino]-2-pyridinyl]-N-[4-(methylideneamino)cyclohexyl]pyridin-2-amine
PubChem CID123903572
Molecular FormulaC24H25Cl2N5
Molecular Weight454.41 g/mol
Exact Mass453.15
IUPAC Name5-chloro-4-[6-[(3-chlorophenyl)methylamino]-2-pyridinyl]-N-[4-(methylideneamino)cyclohexyl]pyridin-2-amine
SMILESC=NC1CCC(Nc2cc(-c3cccc(NCc4cccc(Cl)c4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C24H25Cl2N5/c1-27-18-8-10-19(11-9-18)30-24-13-20(21(26)15-29-24)22-6-3-7-23(31-22)28-14-16-4-2-5-17(25)12-16/h2-7,12-13,15,18-19H,1,8-11,14H2,(H,28,31)(H,29,30)
InChIKeyGIFLVSNLUGZPGR-UHFFFAOYSA-N
XLogP6.49
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.41
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-chloro-4-[6-[(3-chlorophenyl)methylamino]-2-pyridinyl]-N-[4-(methylideneamino)cyclohexyl]pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(oxan-4-yl)pyridin-2-amine
CID 70794022
4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]-N-methylcyclohexane-1-carboxamide
CID 70793954
5-chloro-N-cyclohex-3-en-1-yl-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine
CID 66937052
cis-(1S,3R)-3-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 66936933
4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine
CID 77460758
N-[[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]methyl]ethanesulfonamide
CID 70793963
5-chloro-N-[(3S)-piperidin-3-yl]-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine
CID 70793949
5-chloro-N-cyclohexyl-4-[6-(oxan-4-ylamino)-2-pyridinyl]pyridin-2-amine
CID 70795336
[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 70794043
4-N-[5-chloro-4-[6-[(4-fluorooxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50906613
4-N-[5-chloro-4-[6-[(4-methyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50906397
5-chloro-N-cyclopropyl-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]pyridin-2-amine
CID 67641420

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[6-[(3-chlorophenyl)methylamino]-2-pyridinyl]-N-[4-(methylideneamino)cyclohexyl]pyridin-2-amine?
The IUPAC name of 5-chloro-4-[6-[(3-chlorophenyl)methylamino]-2-pyridinyl]-N-[4-(methylideneamino)cyclohexyl]pyridin-2-amine (CID 123903572) is 5-chloro-4-[6-[(3-chlorophenyl)methylamino]-2-pyridinyl]-N-[4-(methylideneamino)cyclohexyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-[6-[(3-chlorophenyl)methylamino]-2-pyridinyl]-N-[4-(methylideneamino)cyclohexyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-4-[6-[(3-chlorophenyl)methylamino]-2-pyridinyl]-N-[4-(methylideneamino)cyclohexyl]pyridin-2-amine is C=NC1CCC(Nc2cc(-c3cccc(NCc4cccc(Cl)c4)n3)c(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-4-[6-[(3-chlorophenyl)methylamino]-2-pyridinyl]-N-[4-(methylideneamino)cyclohexyl]pyridin-2-amine?
The InChIKey is GIFLVSNLUGZPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N5/c1-27-18-8-10-19(11-9-18)30-24-13-20(21(26)15-29-24)22-6-3-7-23(31-22)28-14-16-4-2-5-17(25)12-16/h2-7,12-13,15,18-19H,1,8-11,14H2,(H,28,31)(H,29,30).
What are the key properties of 5-chloro-4-[6-[(3-chlorophenyl)methylamino]-2-pyridinyl]-N-[4-(methylideneamino)cyclohexyl]pyridin-2-amine?
5-chloro-4-[6-[(3-chlorophenyl)methylamino]-2-pyridinyl]-N-[4-(methylideneamino)cyclohexyl]pyridin-2-amine has a molecular weight of 454.41 g/mol, XLogP of 6.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[6-[(3-chlorophenyl)methylamino]-2-pyridinyl]-N-[4-(methylideneamino)cyclohexyl]pyridin-2-amine is sourced from PubChem (CID 123903572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).