N-[2-(dimethylamino)ethyl]-N,3-dimethyl-4-(pyrazin-2-ylcarbamoylamino)bicyclo[4.1.0]hepta-2,4-diene-1-carboxamide;molecular hydrogen

C19H30N6O2 — CID 142167467

IUPACN-[2-(dimethylamino)ethyl]-N,3-dimethyl-4-(pyrazin-2-ylcarbamoylamino)bicyclo[4.1.0]hepta-2,4-diene-1-carboxamide;molecular hydrogen
SMILESCC1=CC2(C(=O)N(C)CCN(C)C)CC2C=C1NC(=O)Nc1cnccn1.[H][H].[H][H]
InChIInChI=1S/C19H26N6O2.2H2/c1-13-10-19(17(26)25(4)8-7-24(2)3)11-14(19)9-15(13)22-18(27)23-16-12-20-5-6-21-16;;/h5-6,9-10,12,14H,7-8,11H2,1-4H3,(H2,21,22,23,27);2*1H
InChIKeyLZXPFYWHVAPGOK-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.96
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N,3-dimethyl-4-(pyrazin-2-ylcarbamoylamino)bicyclo[4.1.0]hepta-2,4-diene-1-carboxamide;molecular hydrogen

N-[2-(dimethylamino)ethyl]-N,3-dimethyl-4-(pyrazin-2-ylcarbamoylamino)bicyclo[4.1.0]hepta-2,4-diene-1-carboxamide;molecular hydrogen (PubChem CID 142167467) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N,3-dimethyl-4-(pyrazin-2-ylcarbamoylamino)bicyclo[4.1.0]hepta-2,4-diene-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N,3-dimethyl-4-(pyrazin-2-ylcarbamoylamino)bicyclo[4.1.0]hepta-2,4-diene-1-carboxamide;molecular hydrogen
PubChem CID142167467
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC NameN-[2-(dimethylamino)ethyl]-N,3-dimethyl-4-(pyrazin-2-ylcarbamoylamino)bicyclo[4.1.0]hepta-2,4-diene-1-carboxamide;molecular hydrogen
SMILESCC1=CC2(C(=O)N(C)CCN(C)C)CC2C=C1NC(=O)Nc1cnccn1.[H][H].[H][H]
InChIInChI=1S/C19H26N6O2.2H2/c1-13-10-19(17(26)25(4)8-7-24(2)3)11-14(19)9-15(13)22-18(27)23-16-12-20-5-6-21-16;;/h5-6,9-10,12,14H,7-8,11H2,1-4H3,(H2,21,22,23,27);2*1H
InChIKeyLZXPFYWHVAPGOK-UHFFFAOYSA-N
XLogP1.96
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N,3-dimethyl-4-(pyrazin-2-ylcarbamoylamino)bicyclo[4.1.0]hepta-2,4-diene-1-carboxamide;molecular hydrogen?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N,3-dimethyl-4-(pyrazin-2-ylcarbamoylamino)bicyclo[4.1.0]hepta-2,4-diene-1-carboxamide;molecular hydrogen (CID 142167467) is N-[2-(dimethylamino)ethyl]-N,3-dimethyl-4-(pyrazin-2-ylcarbamoylamino)bicyclo[4.1.0]hepta-2,4-diene-1-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N,3-dimethyl-4-(pyrazin-2-ylcarbamoylamino)bicyclo[4.1.0]hepta-2,4-diene-1-carboxamide;molecular hydrogen?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N,3-dimethyl-4-(pyrazin-2-ylcarbamoylamino)bicyclo[4.1.0]hepta-2,4-diene-1-carboxamide;molecular hydrogen is CC1=CC2(C(=O)N(C)CCN(C)C)CC2C=C1NC(=O)Nc1cnccn1.[H][H].[H][H].
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N,3-dimethyl-4-(pyrazin-2-ylcarbamoylamino)bicyclo[4.1.0]hepta-2,4-diene-1-carboxamide;molecular hydrogen?
The InChIKey is LZXPFYWHVAPGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2.2H2/c1-13-10-19(17(26)25(4)8-7-24(2)3)11-14(19)9-15(13)22-18(27)23-16-12-20-5-6-21-16;;/h5-6,9-10,12,14H,7-8,11H2,1-4H3,(H2,21,22,23,27);2*1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-N,3-dimethyl-4-(pyrazin-2-ylcarbamoylamino)bicyclo[4.1.0]hepta-2,4-diene-1-carboxamide;molecular hydrogen?
N-[2-(dimethylamino)ethyl]-N,3-dimethyl-4-(pyrazin-2-ylcarbamoylamino)bicyclo[4.1.0]hepta-2,4-diene-1-carboxamide;molecular hydrogen has a molecular weight of 374.49 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N,3-dimethyl-4-(pyrazin-2-ylcarbamoylamino)bicyclo[4.1.0]hepta-2,4-diene-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 142167467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).