N-[[5-chloro-6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]cyclopropanamine

C15H23ClN4 — CID 62279476

IUPACN-[[5-chloro-6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCN1CCCN(c2ncc(CNC3CC3)cc2Cl)CC1
InChIInChI=1S/C15H23ClN4/c1-19-5-2-6-20(8-7-19)15-14(16)9-12(11-18-15)10-17-13-3-4-13/h9,11,13,17H,2-8,10H2,1H3
InChIKeySNYOWYQXRIHVCI-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.13
Rot. Bonds4

About N-[[5-chloro-6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]cyclopropanamine

N-[[5-chloro-6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 62279476) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[[5-chloro-6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID62279476
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC NameN-[[5-chloro-6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCN1CCCN(c2ncc(CNC3CC3)cc2Cl)CC1
InChIInChI=1S/C15H23ClN4/c1-19-5-2-6-20(8-7-19)15-14(16)9-12(11-18-15)10-17-13-3-4-13/h9,11,13,17H,2-8,10H2,1H3
InChIKeySNYOWYQXRIHVCI-UHFFFAOYSA-N
XLogP2.13
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-chloro-6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-chloro-6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62286936
N-[[5-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 107395309
N-[[5-chloro-6-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 55055019
N-[[5-chloro-6-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62281360
N-[[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 114924960
N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80630739
N-[(5-chloro-6-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62281197
N-[[5-chloro-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 103502958
1-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine
CID 62281867
N-[[5-chloro-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62297538
N-[[5-chloro-6-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62287828
N-[[5-chloro-6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62930984

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]cyclopropanamine (CID 62279476) is N-[[5-chloro-6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]cyclopropanamine is CN1CCCN(c2ncc(CNC3CC3)cc2Cl)CC1.
What is the InChIKey of N-[[5-chloro-6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is SNYOWYQXRIHVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c1-19-5-2-6-20(8-7-19)15-14(16)9-12(11-18-15)10-17-13-3-4-13/h9,11,13,17H,2-8,10H2,1H3.
What are the key properties of N-[[5-chloro-6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-chloro-6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 294.83 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62279476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).