4-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride

C18H25ClN4O — CID 120962078

IUPAC4-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCN(c1ccccc1)c1ccc(CNCC2CNCC2O)cn1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-22(16-5-3-2-4-6-16)18-8-7-14(10-21-18)9-19-11-15-12-20-13-17(15)23;/h2-8,10,15,17,19-20,23H,9,11-13H2,1H3;1H
InChIKeyXNMRGKGZXAIELY-UHFFFAOYSA-N
MW348.88 g/mol
LogP1.94
Rot. Bonds6

About 4-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride

4-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 120962078) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is 4-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
PubChem CID120962078
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name4-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCN(c1ccccc1)c1ccc(CNCC2CNCC2O)cn1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-22(16-5-3-2-4-6-16)18-8-7-14(10-21-18)9-19-11-15-12-20-13-17(15)23;/h2-8,10,15,17,19-20,23H,9,11-13H2,1H3;1H
InChIKeyXNMRGKGZXAIELY-UHFFFAOYSA-N
XLogP1.94
TPSA60.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride with MolForge

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Related Compounds

5-[(cyclopropylamino)methyl]-N-methyl-N-phenylpyridin-2-amine
CID 62285256
4-[[(4-methoxy-3-phenylmethoxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962110
N-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-N-phenylpyridin-2-amine;hydrochloride
CID 120839419
4-[[(3-ethoxy-4-phenylmethoxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962652
4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961758
4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962692
4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962514
4-methyl-2-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pentanoic acid
CID 122073369
4-[[(3-bromo-4-methylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120963056
N-methyl-5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-N-phenylpyridin-2-amine
CID 120839030
5-(2-aminoethyl)-N-methyl-N-phenylpyridin-2-amine
CID 80633207
4-[[(3-methyl-4-pyridin-3-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962532

Frequently Asked Questions

What is the IUPAC name of 4-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 4-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride (CID 120962078) is 4-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 4-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 4-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride is CN(c1ccccc1)c1ccc(CNCC2CNCC2O)cn1.Cl.
What is the InChIKey of 4-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is XNMRGKGZXAIELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.ClH/c1-22(16-5-3-2-4-6-16)18-8-7-14(10-21-18)9-19-11-15-12-20-13-17(15)23;/h2-8,10,15,17,19-20,23H,9,11-13H2,1H3;1H.
What are the key properties of 4-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
4-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 120962078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).