2-(cyclopropylmethylamino)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)acetamide;dihydrochloride

C16H23Cl2N5O2 — CID 119874946

IUPAC2-(cyclopropylmethylamino)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)acetamide;dihydrochloride
SMILESCc1nn(C)c(Oc2cccnc2)c1NC(=O)CNCC1CC1.Cl.Cl
InChIInChI=1S/C16H21N5O2.2ClH/c1-11-15(19-14(22)10-18-8-12-5-6-12)16(21(2)20-11)23-13-4-3-7-17-9-13;;/h3-4,7,9,12,18H,5-6,8,10H2,1-2H3,(H,19,22);2*1H
InChIKeyGNEXBUWTXZWWBI-UHFFFAOYSA-N
MW388.30 g/mol
LogP2.70
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)acetamide;dihydrochloride

2-(cyclopropylmethylamino)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)acetamide;dihydrochloride (PubChem CID 119874946) has the molecular formula C16H23Cl2N5O2 and a molecular weight of 388.30 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)acetamide;dihydrochloride
PubChem CID119874946
Molecular FormulaC16H23Cl2N5O2
Molecular Weight388.30 g/mol
Exact Mass387.12
IUPAC Name2-(cyclopropylmethylamino)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)acetamide;dihydrochloride
SMILESCc1nn(C)c(Oc2cccnc2)c1NC(=O)CNCC1CC1.Cl.Cl
InChIInChI=1S/C16H21N5O2.2ClH/c1-11-15(19-14(22)10-18-8-12-5-6-12)16(21(2)20-11)23-13-4-3-7-17-9-13;;/h3-4,7,9,12,18H,5-6,8,10H2,1-2H3,(H,19,22);2*1H
InChIKeyGNEXBUWTXZWWBI-UHFFFAOYSA-N
XLogP2.70
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)acetamide;dihydrochloride (CID 119874946) is 2-(cyclopropylmethylamino)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)acetamide;dihydrochloride is Cc1nn(C)c(Oc2cccnc2)c1NC(=O)CNCC1CC1.Cl.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)acetamide;dihydrochloride?
The InChIKey is GNEXBUWTXZWWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2.2ClH/c1-11-15(19-14(22)10-18-8-12-5-6-12)16(21(2)20-11)23-13-4-3-7-17-9-13;;/h3-4,7,9,12,18H,5-6,8,10H2,1-2H3,(H,19,22);2*1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)acetamide;dihydrochloride?
2-(cyclopropylmethylamino)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)acetamide;dihydrochloride has a molecular weight of 388.30 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119874946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).