N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine

C19H26N4O2 — CID 120916560

IUPACN-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine
SMILESCn1nccc1[C@@H]1OCC[C@H]1CNCc1ccnc(OCC2CC2)c1
InChIInChI=1S/C19H26N4O2/c1-23-17(5-8-22-23)19-16(6-9-24-19)12-20-11-15-4-7-21-18(10-15)25-13-14-2-3-14/h4-5,7-8,10,14,16,19-20H,2-3,6,9,11-13H2,1H3/t16-,19+/m0/s1
InChIKeyJWTFSCDOJJHQAH-QFBILLFUSA-N
MW342.44 g/mol
LogP2.47
Rot. Bonds8

About N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine

N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine (PubChem CID 120916560) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine
PubChem CID120916560
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine
SMILESCn1nccc1[C@@H]1OCC[C@H]1CNCc1ccnc(OCC2CC2)c1
InChIInChI=1S/C19H26N4O2/c1-23-17(5-8-22-23)19-16(6-9-24-19)12-20-11-15-4-7-21-18(10-15)25-13-14-2-3-14/h4-5,7-8,10,14,16,19-20H,2-3,6,9,11-13H2,1H3/t16-,19+/m0/s1
InChIKeyJWTFSCDOJJHQAH-QFBILLFUSA-N
XLogP2.47
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine?
The IUPAC name of N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine (CID 120916560) is N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine.
What is the SMILES notation for N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine?
The canonical SMILES for N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine is Cn1nccc1[C@@H]1OCC[C@H]1CNCc1ccnc(OCC2CC2)c1.
What is the InChIKey of N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine?
The InChIKey is JWTFSCDOJJHQAH-QFBILLFUSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-23-17(5-8-22-23)19-16(6-9-24-19)12-20-11-15-4-7-21-18(10-15)25-13-14-2-3-14/h4-5,7-8,10,14,16,19-20H,2-3,6,9,11-13H2,1H3/t16-,19+/m0/s1.
What are the key properties of N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine?
N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine has a molecular weight of 342.44 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 120916560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).