N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine

C16H23Cl2N3 — CID 79705554

IUPACN-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESCc1cc(Cl)c(CN(CC2CCNCC2)C2CC2)c(Cl)n1
InChIInChI=1S/C16H23Cl2N3/c1-11-8-15(17)14(16(18)20-11)10-21(13-2-3-13)9-12-4-6-19-7-5-12/h8,12-13,19H,2-7,9-10H2,1H3
InChIKeyAKCIEWNNBIDSCJ-UHFFFAOYSA-N
MW328.29 g/mol
LogP3.66
Rot. Bonds5

About N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine

N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine (PubChem CID 79705554) has the molecular formula C16H23Cl2N3 and a molecular weight of 328.29 g/mol. Its IUPAC name is N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
PubChem CID79705554
Molecular FormulaC16H23Cl2N3
Molecular Weight328.29 g/mol
Exact Mass327.13
IUPAC NameN-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESCc1cc(Cl)c(CN(CC2CCNCC2)C2CC2)c(Cl)n1
InChIInChI=1S/C16H23Cl2N3/c1-11-8-15(17)14(16(18)20-11)10-21(13-2-3-13)9-12-4-6-19-7-5-12/h8,12-13,19H,2-7,9-10H2,1H3
InChIKeyAKCIEWNNBIDSCJ-UHFFFAOYSA-N
XLogP3.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-ethylpyrrolidin-3-amine
CID 55204387
ethyl 2-[cyclopropyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate
CID 62027787
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79714350
methyl 2-[cyclopentyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate
CID 115536709
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715016
N-(cyclopropylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
CID 58624329
2-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61017271
N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632038
N-(cyclohexylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
CID 58624330
N-(piperidin-4-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine
CID 79713790
N-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 119930115
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79714268

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine (CID 79705554) is N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine is Cc1cc(Cl)c(CN(CC2CCNCC2)C2CC2)c(Cl)n1.
What is the InChIKey of N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The InChIKey is AKCIEWNNBIDSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3/c1-11-8-15(17)14(16(18)20-11)10-21(13-2-3-13)9-12-4-6-19-7-5-12/h8,12-13,19H,2-7,9-10H2,1H3.
What are the key properties of N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine has a molecular weight of 328.29 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine is sourced from PubChem (CID 79705554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).