N-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine

C17H22N4 — CID 124983076

IUPACN-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine
SMILESCNc1cc([C@H]2CCCN(Cc3cccnc3)C2)ccn1
InChIInChI=1S/C17H22N4/c1-18-17-10-15(6-8-20-17)16-5-3-9-21(13-16)12-14-4-2-7-19-11-14/h2,4,6-8,10-11,16H,3,5,9,12-13H2,1H3,(H,18,20)/t16-/m0/s1
InChIKeyNBIVUYDFPQCYJW-INIZCTEOSA-N
MW282.39 g/mol
LogP2.90
Rot. Bonds4

About N-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine

N-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine (PubChem CID 124983076) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine
PubChem CID124983076
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine
SMILESCNc1cc([C@H]2CCCN(Cc3cccnc3)C2)ccn1
InChIInChI=1S/C17H22N4/c1-18-17-10-15(6-8-20-17)16-5-3-9-21(13-16)12-14-4-2-7-19-11-14/h2,4,6-8,10-11,16H,3,5,9,12-13H2,1H3,(H,18,20)/t16-/m0/s1
InChIKeyNBIVUYDFPQCYJW-INIZCTEOSA-N
XLogP2.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine
CID 110105773
N-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 124997573
1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 110105772
N-methyl-4-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 125012536
2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine
CID 110091435
N-[4-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrazin-2-amine
CID 110111773
4-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methylpyridin-2-amine
CID 110105848
N-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110111841
2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 95809205
N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethanamine
CID 55256845
6-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
CID 95140355
N-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrazin-2-amine
CID 110111840

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine?
The IUPAC name of N-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine (CID 124983076) is N-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine?
The canonical SMILES for N-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine is CNc1cc([C@H]2CCCN(Cc3cccnc3)C2)ccn1.
What is the InChIKey of N-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine?
The InChIKey is NBIVUYDFPQCYJW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22N4/c1-18-17-10-15(6-8-20-17)16-5-3-9-21(13-16)12-14-4-2-7-19-11-14/h2,4,6-8,10-11,16H,3,5,9,12-13H2,1H3,(H,18,20)/t16-/m0/s1.
What are the key properties of N-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine?
N-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 124983076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).