N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride

C21H28Cl2N4O2 — CID 120555687

IUPACN-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
SMILESCC1CNCCC1NC(=O)C(Cc1ccccc1)NC(=O)c1cccnc1.Cl.Cl
InChIInChI=1S/C21H26N4O2.2ClH/c1-15-13-23-11-9-18(15)24-21(27)19(12-16-6-3-2-4-7-16)25-20(26)17-8-5-10-22-14-17;;/h2-8,10,14-15,18-19,23H,9,11-13H2,1H3,(H,24,27)(H,25,26);2*1H
InChIKeyBSGAHEAAPVOIBI-UHFFFAOYSA-N
MW439.39 g/mol
LogP2.38
Rot. Bonds6

About N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride

N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 120555687) has the molecular formula C21H28Cl2N4O2 and a molecular weight of 439.39 g/mol. Its IUPAC name is N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
PubChem CID120555687
Molecular FormulaC21H28Cl2N4O2
Molecular Weight439.39 g/mol
Exact Mass438.16
IUPAC NameN-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
SMILESCC1CNCCC1NC(=O)C(Cc1ccccc1)NC(=O)c1cccnc1.Cl.Cl
InChIInChI=1S/C21H26N4O2.2ClH/c1-15-13-23-11-9-18(15)24-21(27)19(12-16-6-3-2-4-7-16)25-20(26)17-8-5-10-22-14-17;;/h2-8,10,14-15,18-19,23H,9,11-13H2,1H3,(H,24,27)(H,25,26);2*1H
InChIKeyBSGAHEAAPVOIBI-UHFFFAOYSA-N
XLogP2.38
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.39
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride (CID 120555687) is N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride is CC1CNCCC1NC(=O)C(Cc1ccccc1)NC(=O)c1cccnc1.Cl.Cl.
What is the InChIKey of N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is BSGAHEAAPVOIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2.2ClH/c1-15-13-23-11-9-18(15)24-21(27)19(12-16-6-3-2-4-7-16)25-20(26)17-8-5-10-22-14-17;;/h2-8,10,14-15,18-19,23H,9,11-13H2,1H3,(H,24,27)(H,25,26);2*1H.
What are the key properties of N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride?
N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 439.39 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120555687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).