N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-5-methyl-2,5-diazabicyclo[4.1.0]heptane-2-carboxamide

C16H23N5O — CID 155958448

IUPACN-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-5-methyl-2,5-diazabicyclo[4.1.0]heptane-2-carboxamide
SMILESCN1CCN(C(=O)NCc2ccnc(NC3CC3)c2)C2CC21
InChIInChI=1S/C16H23N5O/c1-20-6-7-21(14-9-13(14)20)16(22)18-10-11-4-5-17-15(8-11)19-12-2-3-12/h4-5,8,12-14H,2-3,6-7,9-10H2,1H3,(H,17,19)(H,18,22)
InChIKeyAEOXUSMIZJUTHN-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.25
Rot. Bonds4

About N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-5-methyl-2,5-diazabicyclo[4.1.0]heptane-2-carboxamide

N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-5-methyl-2,5-diazabicyclo[4.1.0]heptane-2-carboxamide (PubChem CID 155958448) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-5-methyl-2,5-diazabicyclo[4.1.0]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-5-methyl-2,5-diazabicyclo[4.1.0]heptane-2-carboxamide
PubChem CID155958448
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-5-methyl-2,5-diazabicyclo[4.1.0]heptane-2-carboxamide
SMILESCN1CCN(C(=O)NCc2ccnc(NC3CC3)c2)C2CC21
InChIInChI=1S/C16H23N5O/c1-20-6-7-21(14-9-13(14)20)16(22)18-10-11-4-5-17-15(8-11)19-12-2-3-12/h4-5,8,12-14H,2-3,6-7,9-10H2,1H3,(H,17,19)(H,18,22)
InChIKeyAEOXUSMIZJUTHN-UHFFFAOYSA-N
XLogP1.25
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-5-methyl-2,5-diazabicyclo[4.1.0]heptane-2-carboxamide?
The IUPAC name of N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-5-methyl-2,5-diazabicyclo[4.1.0]heptane-2-carboxamide (CID 155958448) is N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-5-methyl-2,5-diazabicyclo[4.1.0]heptane-2-carboxamide.
What is the SMILES notation for N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-5-methyl-2,5-diazabicyclo[4.1.0]heptane-2-carboxamide?
The canonical SMILES for N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-5-methyl-2,5-diazabicyclo[4.1.0]heptane-2-carboxamide is CN1CCN(C(=O)NCc2ccnc(NC3CC3)c2)C2CC21.
What is the InChIKey of N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-5-methyl-2,5-diazabicyclo[4.1.0]heptane-2-carboxamide?
The InChIKey is AEOXUSMIZJUTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-20-6-7-21(14-9-13(14)20)16(22)18-10-11-4-5-17-15(8-11)19-12-2-3-12/h4-5,8,12-14H,2-3,6-7,9-10H2,1H3,(H,17,19)(H,18,22).
What are the key properties of N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-5-methyl-2,5-diazabicyclo[4.1.0]heptane-2-carboxamide?
N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-5-methyl-2,5-diazabicyclo[4.1.0]heptane-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-5-methyl-2,5-diazabicyclo[4.1.0]heptane-2-carboxamide is sourced from PubChem (CID 155958448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).