N-[(2-methoxy-4-pyridinyl)methyl]-1-pyrazin-2-ylpiperidin-3-amine

C16H21N5O — CID 176549679

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-1-pyrazin-2-ylpiperidin-3-amine
SMILESCOc1cc(CNC2CCCN(c3cnccn3)C2)ccn1
InChIInChI=1S/C16H21N5O/c1-22-16-9-13(4-5-19-16)10-20-14-3-2-8-21(12-14)15-11-17-6-7-18-15/h4-7,9,11,14,20H,2-3,8,10,12H2,1H3
InChIKeyGEGHCCSZBSBPPL-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.64
Rot. Bonds5

About N-[(2-methoxy-4-pyridinyl)methyl]-1-pyrazin-2-ylpiperidin-3-amine

N-[(2-methoxy-4-pyridinyl)methyl]-1-pyrazin-2-ylpiperidin-3-amine (PubChem CID 176549679) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-1-pyrazin-2-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-1-pyrazin-2-ylpiperidin-3-amine
PubChem CID176549679
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-1-pyrazin-2-ylpiperidin-3-amine
SMILESCOc1cc(CNC2CCCN(c3cnccn3)C2)ccn1
InChIInChI=1S/C16H21N5O/c1-22-16-9-13(4-5-19-16)10-20-14-3-2-8-21(12-14)15-11-17-6-7-18-15/h4-7,9,11,14,20H,2-3,8,10,12H2,1H3
InChIKeyGEGHCCSZBSBPPL-UHFFFAOYSA-N
XLogP1.64
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-[(2-methoxy-4-pyridinyl)methyl]-1-(6-nitro-3-pyridinyl)piperidin-3-amine
CID 169153327
(3S)-N-methyl-1-pyrazin-2-ylpiperidin-3-amine
CID 94476433
N-[[2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
CID 106589213
N-[(2-methoxy-4-pyridinyl)methyl]-1,2-dimethylpiperidin-4-amine
CID 81297222
2,6-dimethoxy-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]pyridine-3-carboxamide
CID 99976530
N-[(2-methoxy-4-pyridinyl)methyl]azepan-4-amine
CID 113361573
3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
CID 104871414
N-[(2-methoxy-4-pyridinyl)methyl]-1-prop-2-ynylpiperidin-4-amine
CID 62990035
2-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]pyrazine
CID 70780919
N-(1-pyrazin-2-ylpiperidin-3-yl)methanesulfonamide
CID 163354597
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 103539475
2-(3-ethylpiperidin-1-yl)pyrazine
CID 146424567

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-1-pyrazin-2-ylpiperidin-3-amine?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-1-pyrazin-2-ylpiperidin-3-amine (CID 176549679) is N-[(2-methoxy-4-pyridinyl)methyl]-1-pyrazin-2-ylpiperidin-3-amine.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-1-pyrazin-2-ylpiperidin-3-amine?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-1-pyrazin-2-ylpiperidin-3-amine is COc1cc(CNC2CCCN(c3cnccn3)C2)ccn1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-1-pyrazin-2-ylpiperidin-3-amine?
The InChIKey is GEGHCCSZBSBPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-22-16-9-13(4-5-19-16)10-20-14-3-2-8-21(12-14)15-11-17-6-7-18-15/h4-7,9,11,14,20H,2-3,8,10,12H2,1H3.
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-1-pyrazin-2-ylpiperidin-3-amine?
N-[(2-methoxy-4-pyridinyl)methyl]-1-pyrazin-2-ylpiperidin-3-amine has a molecular weight of 299.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-1-pyrazin-2-ylpiperidin-3-amine is sourced from PubChem (CID 176549679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).