1-(3,4-dichlorophenyl)-2-[6-[(1-ethylpiperidin-4-yl)amino]-4-methyl-2-pyridinyl]guanidine

C20H26Cl2N6 — CID 123155860

IUPAC1-(3,4-dichlorophenyl)-2-[6-[(1-ethylpiperidin-4-yl)amino]-4-methyl-2-pyridinyl]guanidine
SMILESCCN1CCC(Nc2cc(C)cc(N=C(N)Nc3ccc(Cl)c(Cl)c3)n2)CC1
InChIInChI=1S/C20H26Cl2N6/c1-3-28-8-6-14(7-9-28)24-18-10-13(2)11-19(26-18)27-20(23)25-15-4-5-16(21)17(22)12-15/h4-5,10-12,14H,3,6-9H2,1-2H3,(H4,23,24,25,26,27)
InChIKeyFKEBZBPOYPTBGO-UHFFFAOYSA-N
MW421.38 g/mol
LogP4.65
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-2-[6-[(1-ethylpiperidin-4-yl)amino]-4-methyl-2-pyridinyl]guanidine

1-(3,4-dichlorophenyl)-2-[6-[(1-ethylpiperidin-4-yl)amino]-4-methyl-2-pyridinyl]guanidine (PubChem CID 123155860) has the molecular formula C20H26Cl2N6 and a molecular weight of 421.38 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-[6-[(1-ethylpiperidin-4-yl)amino]-4-methyl-2-pyridinyl]guanidine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-[6-[(1-ethylpiperidin-4-yl)amino]-4-methyl-2-pyridinyl]guanidine
PubChem CID123155860
Molecular FormulaC20H26Cl2N6
Molecular Weight421.38 g/mol
Exact Mass420.16
IUPAC Name1-(3,4-dichlorophenyl)-2-[6-[(1-ethylpiperidin-4-yl)amino]-4-methyl-2-pyridinyl]guanidine
SMILESCCN1CCC(Nc2cc(C)cc(N=C(N)Nc3ccc(Cl)c(Cl)c3)n2)CC1
InChIInChI=1S/C20H26Cl2N6/c1-3-28-8-6-14(7-9-28)24-18-10-13(2)11-19(26-18)27-20(23)25-15-4-5-16(21)17(22)12-15/h4-5,10-12,14H,3,6-9H2,1-2H3,(H4,23,24,25,26,27)
InChIKeyFKEBZBPOYPTBGO-UHFFFAOYSA-N
XLogP4.65
TPSA78.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)-2-[4-[[(3R)-1-ethylpiperidin-3-yl]amino]-6-methylpyrimidin-2-yl]guanidine
CID 122461503
1-(3,4-dichlorophenyl)-2-[4-methyl-6-[[(3S)-piperidin-3-yl]amino]pyrimidin-2-yl]guanidine
CID 122489224
2-chloro-5-[(1-ethylpiperidin-4-yl)amino]benzoic acid
CID 43736226
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109360943
N-(1-ethylpiperidin-4-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 60667015
2-ethyl-4-[(1-ethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136974521
6-chloro-N-(1-ethylpiperidin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106193711
2-chloro-6-[(1-ethylpiperidin-4-yl)amino]pyridine-4-carbonitrile
CID 106193671
6-chloro-N-(1-ethylpiperidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 106193705
N-(4-bromo-3-chlorophenyl)-1-ethylazepan-4-amine
CID 107619168
1-ethyl-N-(2,4,6-trimethylphenyl)piperidin-4-amine
CID 54861532

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-[6-[(1-ethylpiperidin-4-yl)amino]-4-methyl-2-pyridinyl]guanidine?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-[6-[(1-ethylpiperidin-4-yl)amino]-4-methyl-2-pyridinyl]guanidine (CID 123155860) is 1-(3,4-dichlorophenyl)-2-[6-[(1-ethylpiperidin-4-yl)amino]-4-methyl-2-pyridinyl]guanidine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-[6-[(1-ethylpiperidin-4-yl)amino]-4-methyl-2-pyridinyl]guanidine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-[6-[(1-ethylpiperidin-4-yl)amino]-4-methyl-2-pyridinyl]guanidine is CCN1CCC(Nc2cc(C)cc(N=C(N)Nc3ccc(Cl)c(Cl)c3)n2)CC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-[6-[(1-ethylpiperidin-4-yl)amino]-4-methyl-2-pyridinyl]guanidine?
The InChIKey is FKEBZBPOYPTBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N6/c1-3-28-8-6-14(7-9-28)24-18-10-13(2)11-19(26-18)27-20(23)25-15-4-5-16(21)17(22)12-15/h4-5,10-12,14H,3,6-9H2,1-2H3,(H4,23,24,25,26,27).
What are the key properties of 1-(3,4-dichlorophenyl)-2-[6-[(1-ethylpiperidin-4-yl)amino]-4-methyl-2-pyridinyl]guanidine?
1-(3,4-dichlorophenyl)-2-[6-[(1-ethylpiperidin-4-yl)amino]-4-methyl-2-pyridinyl]guanidine has a molecular weight of 421.38 g/mol, XLogP of 4.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-[6-[(1-ethylpiperidin-4-yl)amino]-4-methyl-2-pyridinyl]guanidine is sourced from PubChem (CID 123155860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).