N,N-dimethyl-4-[2-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;5,6,7,8-tetrahydroquinoline

C25H30N6 — CID 143518517

IUPACN,N-dimethyl-4-[2-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;5,6,7,8-tetrahydroquinoline
SMILESCNCc1nc2ccccn2c1-c1ccnc(N(C)C)c1.c1cnc2c(c1)CCCC2
InChIInChI=1S/C16H19N5.C9H11N/c1-17-11-13-16(21-9-5-4-6-14(21)19-13)12-7-8-18-15(10-12)20(2)3;1-2-6-9-8(4-1)5-3-7-10-9/h4-10,17H,11H2,1-3H3;3,5,7H,1-2,4,6H2
InChIKeyJMZJRAAZMWYYPQ-UHFFFAOYSA-N
MW414.56 g/mol
LogP4.14
Rot. Bonds4

About N,N-dimethyl-4-[2-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;5,6,7,8-tetrahydroquinoline

N,N-dimethyl-4-[2-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;5,6,7,8-tetrahydroquinoline (PubChem CID 143518517) has the molecular formula C25H30N6 and a molecular weight of 414.56 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;5,6,7,8-tetrahydroquinoline
PubChem CID143518517
Molecular FormulaC25H30N6
Molecular Weight414.56 g/mol
Exact Mass414.25
IUPAC NameN,N-dimethyl-4-[2-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;5,6,7,8-tetrahydroquinoline
SMILESCNCc1nc2ccccn2c1-c1ccnc(N(C)C)c1.c1cnc2c(c1)CCCC2
InChIInChI=1S/C16H19N5.C9H11N/c1-17-11-13-16(21-9-5-4-6-14(21)19-13)12-7-8-18-15(10-12)20(2)3;1-2-6-9-8(4-1)5-3-7-10-9/h4-10,17H,11H2,1-3H3;3,5,7H,1-2,4,6H2
InChIKeyJMZJRAAZMWYYPQ-UHFFFAOYSA-N
XLogP4.14
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.56
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;5,6,7,8-tetrahydroquinoline?
The IUPAC name of N,N-dimethyl-4-[2-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;5,6,7,8-tetrahydroquinoline (CID 143518517) is N,N-dimethyl-4-[2-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for N,N-dimethyl-4-[2-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;5,6,7,8-tetrahydroquinoline?
The canonical SMILES for N,N-dimethyl-4-[2-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;5,6,7,8-tetrahydroquinoline is CNCc1nc2ccccn2c1-c1ccnc(N(C)C)c1.c1cnc2c(c1)CCCC2.
What is the InChIKey of N,N-dimethyl-4-[2-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;5,6,7,8-tetrahydroquinoline?
The InChIKey is JMZJRAAZMWYYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5.C9H11N/c1-17-11-13-16(21-9-5-4-6-14(21)19-13)12-7-8-18-15(10-12)20(2)3;1-2-6-9-8(4-1)5-3-7-10-9/h4-10,17H,11H2,1-3H3;3,5,7H,1-2,4,6H2.
What are the key properties of N,N-dimethyl-4-[2-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;5,6,7,8-tetrahydroquinoline?
N,N-dimethyl-4-[2-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;5,6,7,8-tetrahydroquinoline has a molecular weight of 414.56 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 143518517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).