3-chloro-N-cyclopropyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine

C15H24ClN3O — CID 62293030

IUPAC3-chloro-N-cyclopropyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCOCCN(c1ncc(CNC(C)C)cc1Cl)C1CC1
InChIInChI=1S/C15H24ClN3O/c1-11(2)17-9-12-8-14(16)15(18-10-12)19(6-7-20-3)13-4-5-13/h8,10-11,13,17H,4-7,9H2,1-3H3
InChIKeyMWTRGHOSUUVAFM-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.85
Rot. Bonds8

About 3-chloro-N-cyclopropyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine

3-chloro-N-cyclopropyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 62293030) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID62293030
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name3-chloro-N-cyclopropyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCOCCN(c1ncc(CNC(C)C)cc1Cl)C1CC1
InChIInChI=1S/C15H24ClN3O/c1-11(2)17-9-12-8-14(16)15(18-10-12)19(6-7-20-3)13-4-5-13/h8,10-11,13,17H,4-7,9H2,1-3H3
InChIKeyMWTRGHOSUUVAFM-UHFFFAOYSA-N
XLogP2.85
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(2-methoxyethyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80630602
3-chloro-N-methyl-N-(4-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62287805
3-chloro-N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62288457
3-chloro-N-cyclopropyl-5-(methylaminomethyl)-N-propylpyridin-2-amine
CID 62279711
3-chloro-N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N-propylpyridin-2-amine
CID 62284099
3-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82953039
3-chloro-5-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine
CID 78943846
N-cyclopropyl-N-(2-methoxyethyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81246152
2-[cyclopentyl-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol
CID 80632565
3-chloro-N-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62281089
N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80631433
N-butyl-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62285650

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-cyclopropyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 62293030) is 3-chloro-N-cyclopropyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-cyclopropyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-cyclopropyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine is COCCN(c1ncc(CNC(C)C)cc1Cl)C1CC1.
What is the InChIKey of 3-chloro-N-cyclopropyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is MWTRGHOSUUVAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-11(2)17-9-12-8-14(16)15(18-10-12)19(6-7-20-3)13-4-5-13/h8,10-11,13,17H,4-7,9H2,1-3H3.
What are the key properties of 3-chloro-N-cyclopropyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
3-chloro-N-cyclopropyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 297.83 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62293030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).