2-amino-2-(oxan-4-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride

C16H23Cl2N5O2 — CID 120799505

IUPAC2-amino-2-(oxan-4-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)Nc1cnn(Cc2ccncc2)c1)C1CCOCC1
InChIInChI=1S/C16H21N5O2.2ClH/c17-15(13-3-7-23-8-4-13)16(22)20-14-9-19-21(11-14)10-12-1-5-18-6-2-12;;/h1-2,5-6,9,11,13,15H,3-4,7-8,10,17H2,(H,20,22);2*1H
InChIKeyVGXJQDZUOGPTJL-UHFFFAOYSA-N
MW388.30 g/mol
LogP1.86
Rot. Bonds5

About 2-amino-2-(oxan-4-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride

2-amino-2-(oxan-4-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride (PubChem CID 120799505) has the molecular formula C16H23Cl2N5O2 and a molecular weight of 388.30 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride
PubChem CID120799505
Molecular FormulaC16H23Cl2N5O2
Molecular Weight388.30 g/mol
Exact Mass387.12
IUPAC Name2-amino-2-(oxan-4-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)Nc1cnn(Cc2ccncc2)c1)C1CCOCC1
InChIInChI=1S/C16H21N5O2.2ClH/c17-15(13-3-7-23-8-4-13)16(22)20-14-9-19-21(11-14)10-12-1-5-18-6-2-12;;/h1-2,5-6,9,11,13,15H,3-4,7-8,10,17H2,(H,20,22);2*1H
InChIKeyVGXJQDZUOGPTJL-UHFFFAOYSA-N
XLogP1.86
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide;dihydrochloride
CID 119871202
(2S)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide
CID 119871213
2-amino-2-(oxan-4-yl)-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]acetamide;dihydrochloride
CID 120799757
3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide;dihydrochloride
CID 119871220
2-amino-2-(oxan-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide
CID 120790126
2-(cyclopropylmethylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride
CID 119871204
2-amino-2-(oxan-4-yl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
CID 120799514
3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide
CID 119871229
2-amino-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-2-(oxan-4-yl)acetamide
CID 120793438
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide
CID 119871215
N-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 120798865
N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]piperidine-3-carboxamide;dihydrochloride
CID 119871178

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride (CID 120799505) is 2-amino-2-(oxan-4-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride is Cl.Cl.NC(C(=O)Nc1cnn(Cc2ccncc2)c1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride?
The InChIKey is VGXJQDZUOGPTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2.2ClH/c17-15(13-3-7-23-8-4-13)16(22)20-14-9-19-21(11-14)10-12-1-5-18-6-2-12;;/h1-2,5-6,9,11,13,15H,3-4,7-8,10,17H2,(H,20,22);2*1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride?
2-amino-2-(oxan-4-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride has a molecular weight of 388.30 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 120799505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).