N-[(3-methyl-4-pyridinyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-5-yl)oxan-3-yl]methanamine

C16H22N4O — CID 154761610

IUPACN-[(3-methyl-4-pyridinyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-5-yl)oxan-3-yl]methanamine
SMILESCc1cnccc1CNC[C@@H]1CCCO[C@H]1c1ccn[nH]1
InChIInChI=1S/C16H22N4O/c1-12-9-17-6-4-13(12)10-18-11-14-3-2-8-21-16(14)15-5-7-19-20-15/h4-7,9,14,16,18H,2-3,8,10-11H2,1H3,(H,19,20)/t14-,16+/m0/s1
InChIKeyMAVPKOKPRPNENZ-GOEBONIOSA-N
MW286.38 g/mol
LogP2.37
Rot. Bonds5

About N-[(3-methyl-4-pyridinyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-5-yl)oxan-3-yl]methanamine

N-[(3-methyl-4-pyridinyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-5-yl)oxan-3-yl]methanamine (PubChem CID 154761610) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(3-methyl-4-pyridinyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-5-yl)oxan-3-yl]methanamine.

Molecular Properties

Compound NameN-[(3-methyl-4-pyridinyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-5-yl)oxan-3-yl]methanamine
PubChem CID154761610
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[(3-methyl-4-pyridinyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-5-yl)oxan-3-yl]methanamine
SMILESCc1cnccc1CNC[C@@H]1CCCO[C@H]1c1ccn[nH]1
InChIInChI=1S/C16H22N4O/c1-12-9-17-6-4-13(12)10-18-11-14-3-2-8-21-16(14)15-5-7-19-20-15/h4-7,9,14,16,18H,2-3,8,10-11H2,1H3,(H,19,20)/t14-,16+/m0/s1
InChIKeyMAVPKOKPRPNENZ-GOEBONIOSA-N
XLogP2.37
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-5-yl)oxan-3-yl]methanamine?
The IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-5-yl)oxan-3-yl]methanamine (CID 154761610) is N-[(3-methyl-4-pyridinyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-5-yl)oxan-3-yl]methanamine.
What is the SMILES notation for N-[(3-methyl-4-pyridinyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-5-yl)oxan-3-yl]methanamine?
The canonical SMILES for N-[(3-methyl-4-pyridinyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-5-yl)oxan-3-yl]methanamine is Cc1cnccc1CNC[C@@H]1CCCO[C@H]1c1ccn[nH]1.
What is the InChIKey of N-[(3-methyl-4-pyridinyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-5-yl)oxan-3-yl]methanamine?
The InChIKey is MAVPKOKPRPNENZ-GOEBONIOSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-9-17-6-4-13(12)10-18-11-14-3-2-8-21-16(14)15-5-7-19-20-15/h4-7,9,14,16,18H,2-3,8,10-11H2,1H3,(H,19,20)/t14-,16+/m0/s1.
What are the key properties of N-[(3-methyl-4-pyridinyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-5-yl)oxan-3-yl]methanamine?
N-[(3-methyl-4-pyridinyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-5-yl)oxan-3-yl]methanamine has a molecular weight of 286.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-pyridinyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-5-yl)oxan-3-yl]methanamine is sourced from PubChem (CID 154761610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).