3-chloro-N-(furan-3-ylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine

C16H22ClN3O — CID 62294209

IUPAC3-chloro-N-(furan-3-ylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCC(C)CNCc1cnc(N(C)Cc2ccoc2)c(Cl)c1
InChIInChI=1S/C16H22ClN3O/c1-12(2)7-18-8-14-6-15(17)16(19-9-14)20(3)10-13-4-5-21-11-13/h4-6,9,11-12,18H,7-8,10H2,1-3H3
InChIKeyCGQVZSHLXIYTJB-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.71
Rot. Bonds7

About 3-chloro-N-(furan-3-ylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine

3-chloro-N-(furan-3-ylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine (PubChem CID 62294209) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 3-chloro-N-(furan-3-ylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(furan-3-ylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
PubChem CID62294209
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name3-chloro-N-(furan-3-ylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCC(C)CNCc1cnc(N(C)Cc2ccoc2)c(Cl)c1
InChIInChI=1S/C16H22ClN3O/c1-12(2)7-18-8-14-6-15(17)16(19-9-14)20(3)10-13-4-5-21-11-13/h4-6,9,11-12,18H,7-8,10H2,1-3H3
InChIKeyCGQVZSHLXIYTJB-UHFFFAOYSA-N
XLogP3.71
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-6-[furan-3-ylmethyl(methyl)amino]-3-pyridinyl]methanol
CID 61422350
N-(furan-3-ylmethyl)-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80630765
5-chloro-N-(furan-3-ylmethyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294383
3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 62281535
5-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylpyridin-2-amine
CID 80634374
N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62287934
3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62283539
3-chloro-N-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62281089
3-chloro-N-methyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 55059008
3-chloro-N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine
CID 62280428
3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-2-amine
CID 62289541
3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63026181

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(furan-3-ylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-(furan-3-ylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine (CID 62294209) is 3-chloro-N-(furan-3-ylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(furan-3-ylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(furan-3-ylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine is CC(C)CNCc1cnc(N(C)Cc2ccoc2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(furan-3-ylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
The InChIKey is CGQVZSHLXIYTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-12(2)7-18-8-14-6-15(17)16(19-9-14)20(3)10-13-4-5-21-11-13/h4-6,9,11-12,18H,7-8,10H2,1-3H3.
What are the key properties of 3-chloro-N-(furan-3-ylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
3-chloro-N-(furan-3-ylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine has a molecular weight of 307.82 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(furan-3-ylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62294209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).