[1-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]piperidin-4-yl]methanol

C21H25N5O — CID 139321582

IUPAC[1-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]piperidin-4-yl]methanol
SMILESNc1ccc(N2CCC(CO)CC2)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C21H25N5O/c22-18-4-6-20(26-10-7-15(14-27)8-11-26)25-21(18)24-13-16-3-5-19-17(12-16)2-1-9-23-19/h1-6,9,12,15,27H,7-8,10-11,13-14,22H2,(H,24,25)
InChIKeyCHQCSZIUMVUPLQ-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.03
Rot. Bonds5

About [1-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]piperidin-4-yl]methanol

[1-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]piperidin-4-yl]methanol (PubChem CID 139321582) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is [1-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]piperidin-4-yl]methanol
PubChem CID139321582
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name[1-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]piperidin-4-yl]methanol
SMILESNc1ccc(N2CCC(CO)CC2)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C21H25N5O/c22-18-4-6-20(26-10-7-15(14-27)8-11-26)25-21(18)24-13-16-3-5-19-17(12-16)2-1-9-23-19/h1-6,9,12,15,27H,7-8,10-11,13-14,22H2,(H,24,25)
InChIKeyCHQCSZIUMVUPLQ-UHFFFAOYSA-N
XLogP3.03
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine
CID 59627820
5-N-(6-morpholin-4-yl-2-pyridinyl)-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine
CID 139321434
6-[N-(2-aminoethoxy)-C-methylcarbonimidoyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 123774945
6-(4-ethenyl-3-fluorophenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 155372035
6-(4-ethenyl-3-methylphenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 155372052
4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 123497239
N-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-4-methoxybenzenesulfinamide
CID 155149978
6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 139321368
6-(5-methyl-2-pyridinyl)-N-(quinolin-6-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 59346510
[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62062726
2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol
CID 107850850
4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 139324816

Frequently Asked Questions

What is the IUPAC name of [1-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]piperidin-4-yl]methanol (CID 139321582) is [1-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]piperidin-4-yl]methanol is Nc1ccc(N2CCC(CO)CC2)nc1NCc1ccc2ncccc2c1.
What is the InChIKey of [1-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]piperidin-4-yl]methanol?
The InChIKey is CHQCSZIUMVUPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c22-18-4-6-20(26-10-7-15(14-27)8-11-26)25-21(18)24-13-16-3-5-19-17(12-16)2-1-9-23-19/h1-6,9,12,15,27H,7-8,10-11,13-14,22H2,(H,24,25).
What are the key properties of [1-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]piperidin-4-yl]methanol?
[1-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]piperidin-4-yl]methanol has a molecular weight of 363.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]piperidin-4-yl]methanol is sourced from PubChem (CID 139321582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).