N-[[3-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine

C16H25ClN4 — CID 63621290

IUPACN-[[3-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCCC1CN(c2ccc(Cl)c(CNC3CC3)n2)CCN1C
InChIInChI=1S/C16H25ClN4/c1-3-13-11-21(9-8-20(13)2)16-7-6-14(17)15(19-16)10-18-12-4-5-12/h6-7,12-13,18H,3-5,8-11H2,1-2H3
InChIKeyUKKVLULMIDLXNC-UHFFFAOYSA-N
MW308.86 g/mol
LogP2.52
Rot. Bonds5

About N-[[3-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine

N-[[3-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 63621290) has the molecular formula C16H25ClN4 and a molecular weight of 308.86 g/mol. Its IUPAC name is N-[[3-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID63621290
Molecular FormulaC16H25ClN4
Molecular Weight308.86 g/mol
Exact Mass308.18
IUPAC NameN-[[3-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCCC1CN(c2ccc(Cl)c(CNC3CC3)n2)CCN1C
InChIInChI=1S/C16H25ClN4/c1-3-13-11-21(9-8-20(13)2)16-7-6-14(17)15(19-16)10-18-12-4-5-12/h6-7,12-13,18H,3-5,8-11H2,1-2H3
InChIKeyUKKVLULMIDLXNC-UHFFFAOYSA-N
XLogP2.52
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-chloro-6-(2-methylmorpholin-4-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62284426
N-[[3-chloro-6-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 103503041
N-[[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 83221632
N-[[3-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methyl]ethanamine
CID 79164517
N-[[4-(3-ethyl-4-methylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81253804
1-[6-(3-ethyl-4-methylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 55217768
N-[[3-chloro-6-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 103539397
N-[[3-chloro-6-(3,5-diethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 82699289
1-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine
CID 63168757
4-(3-ethyl-4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 80834207
N-[[6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906584
1-[3-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylmethanamine
CID 106589169

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine (CID 63621290) is N-[[3-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine is CCC1CN(c2ccc(Cl)c(CNC3CC3)n2)CCN1C.
What is the InChIKey of N-[[3-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is UKKVLULMIDLXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4/c1-3-13-11-21(9-8-20(13)2)16-7-6-14(17)15(19-16)10-18-12-4-5-12/h6-7,12-13,18H,3-5,8-11H2,1-2H3.
What are the key properties of N-[[3-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
N-[[3-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 308.86 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 63621290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).