6-amino-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]pyridine-3-carboxamide;dihydrochloride

C16H26Cl2N4O2 — CID 154903478

IUPAC6-amino-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(C(=O)NC(C2CCNCC2)C2CC(O)C2)cn1
InChIInChI=1S/C16H24N4O2.2ClH/c17-14-2-1-11(9-19-14)16(22)20-15(12-7-13(21)8-12)10-3-5-18-6-4-10;;/h1-2,9-10,12-13,15,18,21H,3-8H2,(H2,17,19)(H,20,22);2*1H
InChIKeyZPTQYDSNWBEIBR-UHFFFAOYSA-N
MW377.32 g/mol
LogP1.38
Rot. Bonds4

About 6-amino-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]pyridine-3-carboxamide;dihydrochloride

6-amino-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 154903478) has the molecular formula C16H26Cl2N4O2 and a molecular weight of 377.32 g/mol. Its IUPAC name is 6-amino-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-amino-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]pyridine-3-carboxamide;dihydrochloride
PubChem CID154903478
Molecular FormulaC16H26Cl2N4O2
Molecular Weight377.32 g/mol
Exact Mass376.14
IUPAC Name6-amino-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(C(=O)NC(C2CCNCC2)C2CC(O)C2)cn1
InChIInChI=1S/C16H24N4O2.2ClH/c17-14-2-1-11(9-19-14)16(22)20-15(12-7-13(21)8-12)10-3-5-18-6-4-10;;/h1-2,9-10,12-13,15,18,21H,3-8H2,(H2,17,19)(H,20,22);2*1H
InChIKeyZPTQYDSNWBEIBR-UHFFFAOYSA-N
XLogP1.38
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-6-methoxypyridine-3-carboxamide
CID 91788122
6-bromo-N-(dicyclopropylmethyl)pyridine-3-carboxamide
CID 66462749
N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 91787162
6-amino-N-(1-cyclopropylbutan-2-yl)pyridine-3-carboxamide
CID 63994023
N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-5-phenylpentanamide;hydrochloride
CID 154902204
2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]acetamide
CID 91780613
2-ethyl-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91783296
6-amino-N-butan-2-ylpyridine-3-carboxamide
CID 62072773
6-amino-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide
CID 63009864
6-amino-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 58772630
6-amino-N-(3-methylcyclopentyl)pyridine-3-carboxamide
CID 114540580
5-chloro-N-[(R)-cyclopropyl(piperidin-4-yl)methyl]thiophene-2-carboxamide
CID 137372787

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 6-amino-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]pyridine-3-carboxamide;dihydrochloride (CID 154903478) is 6-amino-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 6-amino-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 6-amino-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]pyridine-3-carboxamide;dihydrochloride is Cl.Cl.Nc1ccc(C(=O)NC(C2CCNCC2)C2CC(O)C2)cn1.
What is the InChIKey of 6-amino-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is ZPTQYDSNWBEIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.2ClH/c17-14-2-1-11(9-19-14)16(22)20-15(12-7-13(21)8-12)10-3-5-18-6-4-10;;/h1-2,9-10,12-13,15,18,21H,3-8H2,(H2,17,19)(H,20,22);2*1H.
What are the key properties of 6-amino-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]pyridine-3-carboxamide;dihydrochloride?
6-amino-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 377.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 154903478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).