N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-[(6-methyl-3-pyridinyl)methyl]oxolan-2-yl]methyl]ethanamine

C19H28N4O — CID 56894626

IUPACN-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-[(6-methyl-3-pyridinyl)methyl]oxolan-2-yl]methyl]ethanamine
SMILESCCN(Cc1cnn(C)c1)C[C@H]1CC[C@@H](Cc2ccc(C)nc2)O1
InChIInChI=1S/C19H28N4O/c1-4-23(13-17-11-21-22(3)12-17)14-19-8-7-18(24-19)9-16-6-5-15(2)20-10-16/h5-6,10-12,18-19H,4,7-9,13-14H2,1-3H3/t18-,19+/m0/s1
InChIKeyHNLSUONMSMJUHQ-RBUKOAKNSA-N
MW328.46 g/mol
LogP2.74
Rot. Bonds7

About N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-[(6-methyl-3-pyridinyl)methyl]oxolan-2-yl]methyl]ethanamine

N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-[(6-methyl-3-pyridinyl)methyl]oxolan-2-yl]methyl]ethanamine (PubChem CID 56894626) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-[(6-methyl-3-pyridinyl)methyl]oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-[(6-methyl-3-pyridinyl)methyl]oxolan-2-yl]methyl]ethanamine
PubChem CID56894626
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-[(6-methyl-3-pyridinyl)methyl]oxolan-2-yl]methyl]ethanamine
SMILESCCN(Cc1cnn(C)c1)C[C@H]1CC[C@@H](Cc2ccc(C)nc2)O1
InChIInChI=1S/C19H28N4O/c1-4-23(13-17-11-21-22(3)12-17)14-19-8-7-18(24-19)9-16-6-5-15(2)20-10-16/h5-6,10-12,18-19H,4,7-9,13-14H2,1-3H3/t18-,19+/m0/s1
InChIKeyHNLSUONMSMJUHQ-RBUKOAKNSA-N
XLogP2.74
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-[(6-methyl-3-pyridinyl)methyl]oxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-[(6-methyl-3-pyridinyl)methyl]oxolan-2-yl]methyl]ethanamine (CID 56894626) is N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-[(6-methyl-3-pyridinyl)methyl]oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-[(6-methyl-3-pyridinyl)methyl]oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-[(6-methyl-3-pyridinyl)methyl]oxolan-2-yl]methyl]ethanamine is CCN(Cc1cnn(C)c1)C[C@H]1CC[C@@H](Cc2ccc(C)nc2)O1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-[(6-methyl-3-pyridinyl)methyl]oxolan-2-yl]methyl]ethanamine?
The InChIKey is HNLSUONMSMJUHQ-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H28N4O/c1-4-23(13-17-11-21-22(3)12-17)14-19-8-7-18(24-19)9-16-6-5-15(2)20-10-16/h5-6,10-12,18-19H,4,7-9,13-14H2,1-3H3/t18-,19+/m0/s1.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-[(6-methyl-3-pyridinyl)methyl]oxolan-2-yl]methyl]ethanamine?
N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-[(6-methyl-3-pyridinyl)methyl]oxolan-2-yl]methyl]ethanamine has a molecular weight of 328.46 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-[(6-methyl-3-pyridinyl)methyl]oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 56894626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).