5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-[(2-methylpropylamino)methyl]pyridin-2-amine

C16H26ClN3 — CID 63866665

IUPAC5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCC(C)CNCc1nc(N(C)CC2CC2C)ccc1Cl
InChIInChI=1S/C16H26ClN3/c1-11(2)8-18-9-15-14(17)5-6-16(19-15)20(4)10-13-7-12(13)3/h5-6,11-13,18H,7-10H2,1-4H3
InChIKeyNGGSUMDDUCGWIW-UHFFFAOYSA-N
MW295.86 g/mol
LogP3.57
Rot. Bonds7

About 5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-[(2-methylpropylamino)methyl]pyridin-2-amine

5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-[(2-methylpropylamino)methyl]pyridin-2-amine (PubChem CID 63866665) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-[(2-methylpropylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-[(2-methylpropylamino)methyl]pyridin-2-amine
PubChem CID63866665
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCC(C)CNCc1nc(N(C)CC2CC2C)ccc1Cl
InChIInChI=1S/C16H26ClN3/c1-11(2)8-18-9-15-14(17)5-6-16(19-15)20(4)10-13-7-12(13)3/h5-6,11-13,18H,7-10H2,1-4H3
InChIKeyNGGSUMDDUCGWIW-UHFFFAOYSA-N
XLogP3.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-[(2-methylpropylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-[(2-methylpropylamino)methyl]pyridin-2-amine (CID 63866665) is 5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-[(2-methylpropylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-[(2-methylpropylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-[(2-methylpropylamino)methyl]pyridin-2-amine is CC(C)CNCc1nc(N(C)CC2CC2C)ccc1Cl.
What is the InChIKey of 5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-[(2-methylpropylamino)methyl]pyridin-2-amine?
The InChIKey is NGGSUMDDUCGWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-11(2)8-18-9-15-14(17)5-6-16(19-15)20(4)10-13-7-12(13)3/h5-6,11-13,18H,7-10H2,1-4H3.
What are the key properties of 5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-[(2-methylpropylamino)methyl]pyridin-2-amine?
5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-[(2-methylpropylamino)methyl]pyridin-2-amine has a molecular weight of 295.86 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-[(2-methylpropylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 63866665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).