5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine

C12H20IN3 — CID 134516590

IUPAC5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine
SMILESCN1C=C(I)C=C(NC2CCN(C)CC2)C1
InChIInChI=1S/C12H20IN3/c1-15-5-3-11(4-6-15)14-12-7-10(13)8-16(2)9-12/h7-8,11,14H,3-6,9H2,1-2H3
InChIKeyXJIZMRZKTVJWPC-UHFFFAOYSA-N
MW333.22 g/mol
LogP1.78
Rot. Bonds2

About 5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine

5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine (PubChem CID 134516590) has the molecular formula C12H20IN3 and a molecular weight of 333.22 g/mol. Its IUPAC name is 5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine.

Molecular Properties

Compound Name5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine
PubChem CID134516590
Molecular FormulaC12H20IN3
Molecular Weight333.22 g/mol
Exact Mass333.07
IUPAC Name5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine
SMILESCN1C=C(I)C=C(NC2CCN(C)CC2)C1
InChIInChI=1S/C12H20IN3/c1-15-5-3-11(4-6-15)14-12-7-10(13)8-16(2)9-12/h7-8,11,14H,3-6,9H2,1-2H3
InChIKeyXJIZMRZKTVJWPC-UHFFFAOYSA-N
XLogP1.78
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]-2H-pyridin-3-amine
CID 137449696
1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]-2H-pyridin-3-amine
CID 139383769
5-fluoro-1-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine
CID 139390472
1-piperidin-4-yl-2H-pyridin-4-amine
CID 19068126
N-(5-methyl-1lambda3-iodacyclohexa-2,4,6-trien-2-yl)piperidin-4-amine
CID 88673444
1-[3-[[(Z)-but-2-en-2-yl]amino]prop-1-en-2-yl]piperidin-4-amine
CID 134406369
N-methyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-3-amine
CID 134485786
4-[4-(Dimethylamino)piperidin-1-yl]-2-methyl-1,2-dihydropyridin-5-amine
CID 138645648
5-chloro-1-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine
CID 139373625
1-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine
CID 139401863
1-(1,2-Dihydropyridin-4-yl)piperidin-4-amine
CID 141881967
ethane;5-methyl-N-(1-methylpiperidin-4-yl)-1,2-dihydropyridin-3-amine
CID 142345350

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine?
The IUPAC name of 5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine (CID 134516590) is 5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine.
What is the SMILES notation for 5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine?
The canonical SMILES for 5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine is CN1C=C(I)C=C(NC2CCN(C)CC2)C1.
What is the InChIKey of 5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine?
The InChIKey is XJIZMRZKTVJWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20IN3/c1-15-5-3-11(4-6-15)14-12-7-10(13)8-16(2)9-12/h7-8,11,14H,3-6,9H2,1-2H3.
What are the key properties of 5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine?
5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine has a molecular weight of 333.22 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-methyl-N-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine is sourced from PubChem (CID 134516590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).