5-chloro-N-(furan-3-ylmethyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine

C16H22ClN3O — CID 62294383

IUPAC5-chloro-N-(furan-3-ylmethyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCC(C)CNCc1nc(N(C)Cc2ccoc2)ccc1Cl
InChIInChI=1S/C16H22ClN3O/c1-12(2)8-18-9-15-14(17)4-5-16(19-15)20(3)10-13-6-7-21-11-13/h4-7,11-12,18H,8-10H2,1-3H3
InChIKeyYBZGMXPRGMHPIB-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.71
Rot. Bonds7

About 5-chloro-N-(furan-3-ylmethyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine

5-chloro-N-(furan-3-ylmethyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine (PubChem CID 62294383) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 5-chloro-N-(furan-3-ylmethyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(furan-3-ylmethyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine
PubChem CID62294383
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name5-chloro-N-(furan-3-ylmethyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCC(C)CNCc1nc(N(C)Cc2ccoc2)ccc1Cl
InChIInChI=1S/C16H22ClN3O/c1-12(2)8-18-9-15-14(17)4-5-16(19-15)20(3)10-13-6-7-21-11-13/h4-7,11-12,18H,8-10H2,1-3H3
InChIKeyYBZGMXPRGMHPIB-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-N-(2,2-dimethylpropyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62288482
3-chloro-N-(furan-3-ylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294209
5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 63866665
5-chloro-6-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine
CID 63489453
5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62280243
2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine
CID 62341687
5-chloro-N-methyl-6-[(2-methylpropylamino)methyl]-N-(oxolan-3-yl)pyridin-2-amine
CID 82754697
5-chloro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62279898
5-chloro-N-(2,2-dimethylpropyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62288309
5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine
CID 62294612
N-[(3-chloro-6-pyrrolidin-1-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 55054651
N-[(3-chloro-6-morpholin-4-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62285577

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(furan-3-ylmethyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-(furan-3-ylmethyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine (CID 62294383) is 5-chloro-N-(furan-3-ylmethyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(furan-3-ylmethyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(furan-3-ylmethyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine is CC(C)CNCc1nc(N(C)Cc2ccoc2)ccc1Cl.
What is the InChIKey of 5-chloro-N-(furan-3-ylmethyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine?
The InChIKey is YBZGMXPRGMHPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-12(2)8-18-9-15-14(17)4-5-16(19-15)20(3)10-13-6-7-21-11-13/h4-7,11-12,18H,8-10H2,1-3H3.
What are the key properties of 5-chloro-N-(furan-3-ylmethyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine?
5-chloro-N-(furan-3-ylmethyl)-N-methyl-6-[(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 5-chloro-N-(furan-3-ylmethyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62294383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).