N-[(3-chloro-4-pyridinyl)methyl]-3-(3,5-dimethylpyrazolidin-4-yl)-N-methylpropan-1-amine

C15H25ClN4 — CID 133108409

IUPACN-[(3-chloro-4-pyridinyl)methyl]-3-(3,5-dimethylpyrazolidin-4-yl)-N-methylpropan-1-amine
SMILESCC1NNC(C)C1CCCN(C)Cc1ccncc1Cl
InChIInChI=1S/C15H25ClN4/c1-11-14(12(2)19-18-11)5-4-8-20(3)10-13-6-7-17-9-15(13)16/h6-7,9,11-12,14,18-19H,4-5,8,10H2,1-3H3
InChIKeyMHZDJKQCKJJNLT-UHFFFAOYSA-N
MW296.85 g/mol
LogP2.45
Rot. Bonds6

About N-[(3-chloro-4-pyridinyl)methyl]-3-(3,5-dimethylpyrazolidin-4-yl)-N-methylpropan-1-amine

N-[(3-chloro-4-pyridinyl)methyl]-3-(3,5-dimethylpyrazolidin-4-yl)-N-methylpropan-1-amine (PubChem CID 133108409) has the molecular formula C15H25ClN4 and a molecular weight of 296.85 g/mol. Its IUPAC name is N-[(3-chloro-4-pyridinyl)methyl]-3-(3,5-dimethylpyrazolidin-4-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-pyridinyl)methyl]-3-(3,5-dimethylpyrazolidin-4-yl)-N-methylpropan-1-amine
PubChem CID133108409
Molecular FormulaC15H25ClN4
Molecular Weight296.85 g/mol
Exact Mass296.18
IUPAC NameN-[(3-chloro-4-pyridinyl)methyl]-3-(3,5-dimethylpyrazolidin-4-yl)-N-methylpropan-1-amine
SMILESCC1NNC(C)C1CCCN(C)Cc1ccncc1Cl
InChIInChI=1S/C15H25ClN4/c1-11-14(12(2)19-18-11)5-4-8-20(3)10-13-6-7-17-9-15(13)16/h6-7,9,11-12,14,18-19H,4-5,8,10H2,1-3H3
InChIKeyMHZDJKQCKJJNLT-UHFFFAOYSA-N
XLogP2.45
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-chloro-4-pyridinyl)methyl-methylamino]pentan-1-ol
CID 107203900
1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 113321844
2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 77075569
N'-[(3-chloro-4-pyridinyl)methyl]-N'-ethylethane-1,2-diamine
CID 103102113
N-[(4-chloro-3-pyridinyl)methyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine
CID 131949946
N-(2-bromoethyl)-N-[(3-chloro-4-pyridinyl)methyl]propan-2-amine
CID 80671408
2-[(3-chloro-4-pyridinyl)methyl-methylamino]-N-(3,5-difluorophenyl)acetamide
CID 71982948
1-(3-chloro-4-pyridinyl)-3-(dimethylamino)-3-methylbutan-2-one
CID 79047726
2-(3-chloro-4-pyridinyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methylacetamide
CID 122134810
N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 77080069
(1R)-N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 99820131
N-[(3-chloro-4-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045751

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-pyridinyl)methyl]-3-(3,5-dimethylpyrazolidin-4-yl)-N-methylpropan-1-amine?
The IUPAC name of N-[(3-chloro-4-pyridinyl)methyl]-3-(3,5-dimethylpyrazolidin-4-yl)-N-methylpropan-1-amine (CID 133108409) is N-[(3-chloro-4-pyridinyl)methyl]-3-(3,5-dimethylpyrazolidin-4-yl)-N-methylpropan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-pyridinyl)methyl]-3-(3,5-dimethylpyrazolidin-4-yl)-N-methylpropan-1-amine?
The canonical SMILES for N-[(3-chloro-4-pyridinyl)methyl]-3-(3,5-dimethylpyrazolidin-4-yl)-N-methylpropan-1-amine is CC1NNC(C)C1CCCN(C)Cc1ccncc1Cl.
What is the InChIKey of N-[(3-chloro-4-pyridinyl)methyl]-3-(3,5-dimethylpyrazolidin-4-yl)-N-methylpropan-1-amine?
The InChIKey is MHZDJKQCKJJNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4/c1-11-14(12(2)19-18-11)5-4-8-20(3)10-13-6-7-17-9-15(13)16/h6-7,9,11-12,14,18-19H,4-5,8,10H2,1-3H3.
What are the key properties of N-[(3-chloro-4-pyridinyl)methyl]-3-(3,5-dimethylpyrazolidin-4-yl)-N-methylpropan-1-amine?
N-[(3-chloro-4-pyridinyl)methyl]-3-(3,5-dimethylpyrazolidin-4-yl)-N-methylpropan-1-amine has a molecular weight of 296.85 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-pyridinyl)methyl]-3-(3,5-dimethylpyrazolidin-4-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 133108409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).